Heterocyclic Building Blocks-Thiomorpholine

I found the field of Pharmacology & Pharmacy; Chemistry; Toxicology very interesting. Saw the article Are In Silico Approaches Applicable As a First Step for the Prediction of e-Liquid Toxicity in e-Cigarettes? published in 2020. Name: 4-Methoxybenzyl acetate, Reprint Addresses Papa, E (corresponding author), Univ Insubria, Dept Theoret & Appl Sci, QSAR Res Unit Environm Chem & Ecotoxicol, I-21100 Varese, Italy.; Zarini, D (corresponding author), Trusticert SRL, I-20126 Milan, Italy.. The CAS is 104-21-2. Through research, I have a further understanding and discovery of 4-Methoxybenzyl acetate

Recent studies have raised concerns about e-cigarette liquid inhalation toxicity by reporting the presence of chemicals with European Union CLP toxicity classification. In this scenario, the regulatory context is still developing and is not yet up to date with vaping current reality. Due to the paucity of toxicological studies, robust data regarding which components in e-liquids exhibit potential toxicities, are still inconsistent. In this study we applied computational methods for estimating the toxicity of poorly studied chemicals as a useful tool for predicting the acute toxicity of chemicals contained in e-liquids. The purpose of this study was 3-fold: (a) to provide a lower tier assessment of the potential health concerns associated with e-liquid ingredients, (b) to prioritize e-liquid ingredients by calculating the e-tox index, and (c) to estimate acute toxicity of e-liquid mixtures. QSAR models were generated using QSARINS software to fill the acute toxicity data gap of 264 e-liquid ingredients. As a second step, the potential acute toxicity of e-liquids mixtures was evaluated. Our preliminary data suggest that a computational approach may serve as a roadmap to enable regulatory bodies to better regulate e-liquid composition and to contribute to consumer health protection.

Name: 4-Methoxybenzyl acetate. About 4-Methoxybenzyl acetate, If you have any questions, you can contact Zarini, D; Sangion, A; Ferri, E; Caruso, E; Zucchi, S; Orro, A; Papa, E or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Transcriptome analysis identifies novel responses and potential regulatory genes involved in 12-deoxyphorbol-13-phenylacetate biosynthesis of Euphorbia resinifera WOS:000471086000016 published article about GENOME SEQUENCE; EXPRESSION; CASBENE; PROSTRATIN; PATHWAY; ANALOGS; CLONING; PLANTS in [Zhang, Kaikai; Yang, Yanfang; Qiu, Deyou] Chinese Acad Forestry, Res Inst Forestry, Key Lab Tree Breeding & Cultivat, State Key Lab Tree Genet & Breeding,State Forestr, Beijing 100091, Peoples R China; [Zhang, Kaikai; Chen, Duanfen; Yao, Zhiwang; Li, Yunfeng] Agr Univ Hebei, Coll Hort, Baoding 071001, Peoples R China; [Fan, Wei] Chinese Acad Forestry, State Key Lab Tree Genet & Breeding, Beijing 100091, Peoples R China; [Huang, Zhongwen] Henan Inst Sci & Technol, Henan Collaborat Innovat Ctr Modern Biol Breeding, Xinxiang 453003, Henan, Peoples R China in 2019, Cited 30. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8. Formula: C14H10O

12-Deoxyphorbol-13-phenylacetate (DPP), found in Euphorbia resinifera, is a prototype of a new class of phorbol derivatives that function as protein kinase C activators with potent anti-tumor-promoting activity. To better understand the biosynthesis of DPP in E. resinifera and develop methods for its production, we used next-generation sequencing technologies to build a transcriptome dataset. We obtained a total of approximately 27,102,078 clean reads that were assembled into 90,448 unigenes. Of those, 129 and 59 unigenes were identified in the Terpenoid Backbone Biosynthesis (TBB) (KEGG map00900) and the Diterpenoid Biosynthesis (DB) (KEGG map00904) pathways, respectively. We investigated the expression patterns of 23 DPP biosynthesis-related genes and validated the results by quantitative real time PCR. The results showed that CMK (4-diphosphocytidyl-2-C-methyl-o-erythritol kinase), MECS (2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase), HDS (1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate synthase), and IPI (Isopentenyl-diphosphate Delta-isomerase) of the methylerythritol 4-phosphate (MEP) pathway had a higher expression compared to other genes of TBB, whereas the expression levels of genes involved in the mevalonic acid (MVA) pathway were relatively lower and not significantly different from each other. Furthermore, the expression of the 23 genes in root, stem and young stem differed, and the statistical results indicated that HMGS (Hydroxymethylglutaryl-CoA synthase), MVK (mevalonic acid), MECT (2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase), MECS, HDS and IPI in the TBB pathway as well as KS in the DB pathway were significantly and positively correlated with the CS (casbene synthase) gene. These results suggested that both cytosol-localized MVA and plastid-localized MEP pathways may have a significant contribution in DPP accumulation, with MEP pathway playing a dominant role. To the best of our knowledge, this study is the first transcriptome analysis of E. resinifera and the results reported here will aid the identification of functional genes and better understanding of DPP biosynthesis.

About Anthrone, If you have any questions, you can contact Zhang, KK; Fan, W; Huang, ZW; Chen, DF; Yao, ZW; Li, YF; Yang, YF; Qiu, DY or concate me.. Formula: C14H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Hote, BS; Mandawad, GG; Patil, SG; Hallale, SN in TAYLOR & FRANCIS LTD published article about EFFICIENT SYNTHESIS; BINDING in [Hote, Baliram S.; Mandawad, Gajanan G.; Patil, Sudhakar G.; Hallale, Shivshankar N.] Swami Ramanand Teerth Marathwada Univ Nanded, Maharashtra Udayagiri Mahavidyalaya Udgir, Udgir Nanded Rd, Udgir 413517, Maharashtra, India in , Cited 29.0. HPLC of Formula: C7H5NO3. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6

An efficient and clean method was developed for the three components, one-pot synthesis of pyrimidinone/thione derivatives using cyclopentanone, variety of aromatic aldehydes, and urea/thiourea by using cyanuric chloride catalyzed Biginelli-type reaction. The reactions proceed under room temperature in presence of cyanuric catalyst in acetonitrile solvent. Under similar conditions, urea/thiourea exhibited similar behavior and aliphatic aldehydes showed lower reactivity than aromatic aldehydes.

About 3-Nitrobenzaldehyde, If you have any questions, you can contact Hote, BS; Mandawad, GG; Patil, SG; Hallale, SN or concate me.. HPLC of Formula: C7H5NO3

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

In 2021 RSC ADV published article about INTRAMOLECULAR HYDROGEN-BONDS; ORGANIC FLUORINE; DERIVATIVES; ANTHRANILAMIDES; INHIBITORS; COUPLINGS; STRENGTH; GEOMETRY in [Tiwari, Surbhi; Arya, Neeru; Suryaprakash, N.] Indian Inst Sci, NMR Res Ctr, Bangalore 560012, Karnataka, India; [Tiwari, Surbhi; Arya, Neeru; Suryaprakash, N.] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India; [Mishra, Sandeep Kumar] Indian Inst Sci Educ & Res, Dept Phys, Pune 411008, Maharashtra, India; [Mishra, Sandeep Kumar] Indian Inst Sci Educ & Res, NMR Res Ctr, Pune 411008, Maharashtra, India in 2021, Cited 57. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6. Recommanded Product: 2-Aminobenzamide

A series of N-benzoylanthranilamide derivatives have been synthesized with the substitution of competitive HB acceptors and investigated by NMR spectroscopy and single crystal XRD. The interesting rivalry for HB acceptance between (sic)C= and X (F or OMe) is observed in the investigated molecules which leads to an unusual increase in the electron density at the site of one of the NH protons, reflecting in the high field resonance in the H-1 NMR spectrum. The NMR experimental findings and single crystal XRD are further reinforced by the DFT studies.

Recommanded Product: 2-Aminobenzamide. About 2-Aminobenzamide, If you have any questions, you can contact Tiwari, S; Arya, N; Mishra, SK; Suryaprakash, N or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Recently I am researching about MEDIATED SYNTHESIS; INHIBITORS; FLAVONES; 6-ENDO-DIG; CLOSURE, Saw an article supported by the UGC, New DelhiUniversity Grants Commission, India [6405-13-044]. Published in GEORG THIEME VERLAG KG in STUTTGART ,Authors: Parveen, I; Ahmed, N. The CAS is 64-10-8. Through research, I have a further understanding and discovery of 1-Phenylurea. Quality Control of 1-Phenylurea

A facile cascade reaction is reported via aza-Michael addition, ring opening, and cyclization between 3-bromoflavone and aniline derivatives or N -phenylurea in the presence of KO t -Bu and CuI in DMF under mild reaction conditions. Products were obtained as stereospecific trans -aminated aurones in good to excellent yields (61-83%). Our protocol is operationally successful with ease, avoids the requirement of additives and ligands, and offers broad substrate scope.

About 1-Phenylurea, If you have any questions, you can contact Parveen, I; Ahmed, N or concate me.. Quality Control of 1-Phenylurea

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Application In Synthesis of 2-Aminobenzamide. I found the field of Chemistry; Food Science & Technology; Toxicology very interesting. Saw the article Linear and cyclic oligomers in PET, glycol-modified PET and Tritan (TM) used for food contact materials published in 2021, Reprint Addresses Simat, TJ (corresponding author), Tech Univ Dresden, Dept Chem & Food Chem, Chair Food Sci & Food Contact Mat, Dresden, Germany.. The CAS is 88-68-6. Through research, I have a further understanding and discovery of 2-Aminobenzamide.

Polyesters are commonly used as food contact materials. During manufacture of polyesters different low molecular mass oligomers (<1000 Da) are formed in the polymer melt. These so-called non-intentionally added substances (NIAS) are potential migrants into foods. In this work, different polyester samples made of polyethylene terephthalate (PET), glycol-modified PET (PETG) and Tritan (TM) were investigated on their qualitative and quantitative oligomer composition. The analysis of acetonitrile extracts by HPLC-DAD/ESI-MS revealed the presence of about 100 linear (different combinations of hydroxyl-, carboxyl-, methyl ester end groups) and cyclic oligomers depending on the main and co-monomers. The identified oligomers were quantified in different extracts and after reprecipitation by HPLC-DAD using bis-hydroxyethylene terephthalate (BHET) as external standard. The amount of oligomers isolated by reprecipitation ranged between 0.80 and 3.4% in the respective polyester. Cyclic oligomers generally made up 90% or more of the isolated oligomers. Compared to the exhaustive extracts the leaching of oligomers into 20% ethanol (1 h, 60 degrees C) resulted in a considerable change of the oligomer distribution with a predominant detection of linear oligomers. This suggests linear oligomers to be relevant for migration into aqueous foods despite the dominant amount of extractable cyclic oligomers in polyesters. Analysis of the extractable oligomers of a PET preform and a PETG container and their corresponding raw material pellets revealed that the injection moulding process did not significantly change the amount of cyclic oligomers but did increase the amount of low molecular mass linear oligomers about twofold. About 2-Aminobenzamide, If you have any questions, you can contact Brenz, F; Linke, S; Simat, TJ or concate me.. Application In Synthesis of 2-Aminobenzamide

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Bioconversion by gut microbiota of predigested mango (Mangifera indica L) ‘Ataulfo’ peel polyphenols assessed in a dynamic (TIM-2) in vitro model of the human colon WOS:000614712200010 published article about PLANT FOODS; BIOAVAILABILITY; PRODUCTS; ACID; QTOF in [Sayago-Ayerdi, Sonia G.] Tecnol Nacl Mexico, Inst Tecnol Tepic, Av Inst Tecnol 2595, Tepic 63175, Nayarit, Mexico; [Venema, Koen] Maastricht Univ, Ctr Hlth Eating & Food Innovat, Campus Venlo,St Jansweg 20, NL-5928 RC Venlo, Netherlands; [Tabernero, Maria] CEI UAM CSIC, IMDEA Food Inst, Carretera Canto Blanco 8, Madrid 28049, Spain; [Sarria, Beatriz; Bravo, L. Laura; Mateos, Raquel] CSIC, Inst Food Sci Technol & Nutr ICTAN CSIC, Jose Antonio Novais 10, Madrid 28040, Spain in 2021.0, Cited 28.0. Computed Properties of C13H10O. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9

Gut microbiota bioconversion of polyphenols in predigested mango ‘Ataulfo’ peel was studied using a validated, dynamic in vitro human colon model (TIM-2) with faecal microbial inoculum. Dried peels were predigested with enzymatic treatment, followed by TIM-2 fermentation (72 h). Samples were taken at 0, 24, 48 and 72 h and analyzed by HPLC-QToF. Derivatives of hydroxyphenylpropionic, hydroxyphenylacetic and hydroxybenzoic acids, as well as, pyrogallol were the main polyphenols identified. These metabolites might derivate from flavonoid (flavanols and flavonols), gallate and gallotannin biotransformation. Despite the high content of ellagic acid in mango peel, low amounts were detected in TIM-2 samples due to transformation into urolythins A and C, mainly. Xanthone and benzophenone derivatives, specific to mango, remained after the colonic biotransformation, contrary to flavonoids, which completely disappeared. In conclusion, microbial-derived metabolites, such as xanthone and benzophenone derivatives, among others, are partially stable after colonic fermentation, and thus have the potential to contribute to mango peel bioactivity.

About Benzophenone, If you have any questions, you can contact Sayago-Ayerdi, SG; Venema, K; Tabernero, M; Sarria, B; Bravo, LL; Mateos, R or concate me.. Computed Properties of C13H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Martini, G; Cardone, C; Vitiello, PP; Belli, V; Napolitano, S; Troiani, T; Ciardiello, D; Della Corte, CM; Morgillo, F; Matrone, N; Sforza, V; Papaccio, G; Desiderio, V; Paul, MC; Moreno-Viedma, V; Normanno, N; Rachiglio, AM; Tirino, V; Maiello, E; Latiano, TP; Rizzi, D; Signoriello, G; Sibilia, M; Ciardiello, F; Martinelli, E in AMER ASSOC CANCER RESEARCH published article about ACQUIRED-RESISTANCE; CAPRI-GOIM; PLUS CETUXIMAB; INHIBITOR; MUTATIONS in [Martini, Giulia; Cardone, Claudia; Vitiello, Pietro Paolo; Belli, Valentina; Napolitano, Stefania; Troiani, Teresa; Ciardiello, Davide; Della Corte, Carminia Maria; Morgillo, Floriana; Matrone, Nunzia; Ciardiello, Fortunato; Martinelli, Erika] Univ Campania L Vanvitelli, Med Oncol, Dept Precis Med, Via Pansini 5, I-80131 Naples, Italy; [Sforza, Vincenzo] Fdn Pascale, IRCCS, Ist Nazl Tumori, Dept Clin Expt Thorac Oncol, Naples, Italy; [Papaccio, Gianpaolo; Desiderio, Vincenzo; Tirino, Virginia] Univ Campania Luigi Vanvitelli Napoli, Dept Expt Med, Naples, Italy; [Paul, Mariel C.; Moreno-Viedma, Veronica; Sibilia, Maria] Med Univ Vienna, Comprehens Canc Ctr, Dept Med 1, Inst Canc Res, Borschkegasse 8a, Vienna, Austria; [Normanno, Nicola; Rachiglio, Anna Maria] Fdn Pascale, IRCCS, Ist Nazl Tumori, Cell Biol & Biotherapy Unit, Naples, Italy; [Maiello, Evaristo; Latiano, Tiziana Pia; Rizzi, Daniele] Hosp Casa Sollievo Della Sofferenza San Giovanni, Med Oncol, San Giovanni Rotondo, Italy; [Signoriello, Giuseppe] Univ Campania L Vanvitelli, Biostat, Dipartimento Salute Mentale & Fis & Med Prevent, Naples, Italy in 2019.0, Cited 24.0. Product Details of 64-10-8. The Name is 1-Phenylurea. Through research, I have a further understanding and discovery of 64-10-8

The EPHA2 tyrosine kinase receptor is implicated in tumor progression and targeted therapies resistance. We evaluated EPHA2 as a potential resistance marker to the antiepidermal growth factor receptor (EGFR) monoclonal antibody cetuximab in colorectal cancer. We studied activation of EPHA2 in a panel of human colorectal cancer cell lines sensitive or resistant to anti-EGFR drugs. The in vitro and in vivo effects of ALW-II-41-27 (an EPHA2 inhibitor) and/or cetuximab treatment were tested. Fonnalin-fixed paraffin-embedded tumor specimens from 82 RAS wild-type (WV) metastatic colorectal cancer patients treated with FOLFIRI + cetuximab as first-line therapy in the CAPRI-COIM trial were assessed for EPHA2 expression by immunohistochemistry and correlated with treatment efficacy. EPHA2 was differentially activated in colorectal cancer cell lines. Combined treatment with ALW-II-41-27 plus cetuximab reverted primary and acquired resistance to cetuximab, causing cell growth inhibition, inducing apoptosis and cell-cycle G1-G2 arrest. In tumor xenograft models, upon progression to cetuximab, ALW-II-41-27 addition significantly inhibited tumor growth. EPHA2 protein expression was detected in 55 of 82 tumor samples, frequently expressed in less-differentiated and left-sided tumors. High levels of EPHA2 significantly correlated with worse progression-free survival [8.6 months; confidence interval (CI) 95%, 6.4-10.8; vs. 12.3 months; CI 95%, 10.4-14,2; P = 0.03] and with increased progression rate (29% vs. 9%, P = 0.02). A specific EPHA2 inhibitor reverts in vitro and in vivo primary and acquired resistance to anti-ECFR therapy. EPHA2 levels are significantly associated with worse outcome in patients treated with FOLFIRI + cetuximab. These results highlight EPHA2 as a potential therapeutic target in metastatic colorectal cancer.

Product Details of 64-10-8. About 1-Phenylurea, If you have any questions, you can contact Martini, G; Cardone, C; Vitiello, PP; Belli, V; Napolitano, S; Troiani, T; Ciardiello, D; Della Corte, CM; Morgillo, F; Matrone, N; Sforza, V; Papaccio, G; Desiderio, V; Paul, MC; Moreno-Viedma, V; Normanno, N; Rachiglio, AM; Tirino, V; Maiello, E; Latiano, TP; Rizzi, D; Signoriello, G; Sibilia, M; Ciardiello, F; Martinelli, E or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Category: thiomorpholine. Authors Lebedev, AT; Polyakova, OV; Artaev, VB; Mednikova, MB; Anokhina, EA in WILEY published article about in [Lebedev, Albert T.; Polyakova, Olga, V] Lomonosov Moscow State Univ, Organ Chem Dept, Leninskie Gory 1-3, Moscow 119991, Russia; [Artaev, Viatcheslav B.] LECO Corp, St Joseph, MI USA; [Mednikova, Maria B.] RAS, Inst Archaeol, Dept Theory & Methods, Moscow, Russia; [Anokhina, Eugenia A.] Pushkin State Museum Fine Arts, Dept Ancient Orient, Moscow, Russia in 2021, Cited 58. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Rationale Mummification is one of the defining customs of ancient Egypt. The nuances of the embalming procedure and the composition of the embalming mixtures have attracted the attention of scientists and laypeople for a long time. Modern analytical tools make mummy studies more efficient. Methods Comprehensive two-dimensional gas chromatography-high resolution mass spectrometry (GCxGC/HRMS) with complementary ionization methods (electron ionization, positive chemical ionization, and electron capture negative ionization [ECNI]) with a Pegasus GC-HRT+4D instrument was used to identify embalming components in the mummy from the Pushkin Museum of Fine Arts acquired in 1913 in London at the de Rustafjaell sale. The mummy dates back to the late Predynastic period (direct accelerator mass spectrometry-dating 3356-3098 bc), being one of the oldest in the world. Results The results showed the complexity of the embalming mixtures that were already in use 5000 years ago. Several hundred organic compounds were identified in the mummy samples. Various types of hydrocarbons (triterpanes, steranes, isoprenoid, and polycyclic aromatic hydrocarbons) prove the presence of petroleum products. Iodinated compounds detected using ECNI define oils of marine origin, whereas esters of palmitic acid indicate the use of beeswax. The nature of the discovered components of conifer tar proves that the preliminary processing of conifer resins involved heating. GCxGC/HRMS also allowed a number of modern contaminants (phthalates, organophosphates, and even DDT) to be identified. Conclusions Application of a powerful GCxGC/HRMS technique with complementary ionization methods allowed significant widening of the range of organic compounds used for mummification that could be identified. The complexity of the embalming mixtures supports the hypothesis of the high social status of the child made on the basis of the preliminary study of the mummy.

About Anthrone, If you have any questions, you can contact Lebedev, AT; Polyakova, OV; Artaev, VB; Mednikova, MB; Anokhina, EA or concate me.. Category: thiomorpholine

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Ueno, K; Nishii, Y; Miura, M in AMER CHEMICAL SOC published article about REACTIVITY in [Ueno, Keisuke; Nishii, Yuji; Miura, Masahiro] Osaka Univ, Grad Sch Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan in 2021, Cited 46. Recommanded Product: 90-44-8. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Herein, we disclose a unique directing effect of 9-substituted triptycenes in electrophilic substitution to achieve the regioselective functionalization of the triptycene core. The Hirshfeld population analysis was adopted to predict the selectivity in electrophilic substitution. TMS and t-Bu groups were found to considerably accelerate the reaction at C2 positions to produce C3symmetric isomers. Correlation between distortion and charge distribution within benzene rings was systematically examined.

About Anthrone, If you have any questions, you can contact Ueno, K; Nishii, Y; Miura, M or concate me.. Recommanded Product: 90-44-8

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem