Chlorides-buliding-blocks

Antczak, Monika I. published the artcileMild Synthesis of Organophosphorus Compounds: Reaction of Phosphorus-Containing Carbenoids with Organoboranes, Application of Diethyltrichloromethylphosphonate, the publication is Organic Letters (2008), 10(5), 977-980, database is CAplus and MEDLINE.

Organoboranes react with phosphorus-containing carbenoids to produce a variety of functionalized organophosphorus compounds under mild conditions. In some cases, selective migration of one group attached to boron can be observed Thus, reaction of (MeO)₂P(O)(CH₂N₂) with Bu₃B in THF/Et₂O at room temperature for 1h followed by hydrolysis (H₂O 2h reflux) gave 86% (MeO)₂P(O)CH₂Bu. Phosphonite-borane complexes are introduced as novel synthons for the synthesis of phosphinic esters.

Organic Letters published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application of Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Podtelezhnikov, Alexei A. published the artcileQuantitative transcriptional biomarkers of xenobiotic receptor activation in rat liver for the early assessment of drug safety liabilities, HPLC of Formula: 637-07-0, the publication is Toxicological Sciences (2020), 175(1), 98-112, database is CAplus and MEDLINE.

The robust transcriptional plasticity of liver mediated through xenobiotic receptors underlies its ability to respond rapidly and effectively to diverse chem. stressors. Thus, drug-induced gene expression changes in liver serve not only as biomarkers of liver injury, but also as mechanistic sentinels of adaptation in metabolism, detoxification, and tissue protection from chems. Modern RNA sequencing methods offer an unmatched opportunity to quant. monitor these processes in parallel and to contextualize the spectrum of dose-dependent stress, adaptation, protection, and injury responses induced in liver by drug treatments. Using this approach, we profiled the transcriptional changes in rat liver following daily oral administration of 120 different compounds, many of which are known to be associated with clin. risk for drug-induced liver injury by diverse mechanisms. Clustering, correlation, and linear modeling analyses were used to identify and optimize coexpressed gene signatures modulated by drug treatment. Here, we specifically focused on prioritizing 9 key signatures for their pragmatic utility for routine monitoring in initial rat tolerability studies just prior to entering drug development. These signatures are associated with 5 canonical xenobiotic nuclear receptors (AHR, CAR, PXR, PPARα, ER), 3 mediators of reactive metabolite-mediated stress responses (NRF2, NRF1, P53), and 1 liver response following activation of the innate immune response. Comparing paradigm chem. inducers of each receptor to the other compounds surveyed enabled us to identify sets of optimized gene expression panels and associated scoring algorithms proposed as quant. mechanistic biomarkers with high sensitivity, specificity, and quant. accuracy. These findings were further qualified using public datasets, Open TG-GATEs and DrugMatrix, and internal development compounds With broader collaboration and addnl. qualification, the quant. toxicogenomic framework described here could inform candidate selection prior to committing to drug development, as well as complement and provide a deeper understanding of the conventional toxicol. study endpoints used later in drug development.

Toxicological Sciences published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, HPLC of Formula: 637-07-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Farizyan, Mirxan published the artcilePalladium-Catalyzed Nondirected Late-Stage C-H Deuteration of Arenes, Recommanded Product: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Journal of the American Chemical Society (2021), 143(40), 16370-16376, database is CAplus and MEDLINE.

Herein, palladium catalyzed nondirected late-stage deuteration of arenes is discussed. Key aspects include the use of D₂O as a convenient and easily available deuterium source and the discovery of highly active N,N-bidentate ligands containing an N-acyl sulfonamide group. The reported protocol enables high degrees of deuterium incorporation via a reversible C-H activation step and features an extraordinary functional group tolerance, allowing for the deuteration of complex substrates. This is exemplified by the late-stage isotopic labeling of various pharmaceutically relevant motifs and related scaffolds. This method, among other applications, will prove useful as a tool in drug development processes and for mechanistic studies.

Journal of the American Chemical Society published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Recommanded Product: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Joyeau, Roger published the artcileN-Aryl 3-halogenated azetidin-2-ones and benzocarbacephems, inhibitors of β-lactamases, HPLC of Formula: 18791-02-1, the publication is Journal of Medicinal Chemistry (1988), 31(2), 370-4, database is CAplus and MEDLINE.

N-Aryl-3-haloazetidinones I (R = F, R¹ = H, F, Br; R = Br, R¹ = H, Br) were prepared by amidating BrCH₂CRR¹COCl, ring closure of BrCH₂CRR¹CONHC₆H₃(Me)CO₂CMe₃-2,5, and ester hydrolysis. Their affinities for the TEM-1 β-lactamase were determined and compared with those of the benzocarbacephems II (R² = H, Cl, F), and known β-lactamase inhibitors. I and II behave as competitive inhibitors and not as substrates of the enzyme; neither halogen substitution nor ring strain induces enzymic hydrolysis.

Journal of Medicinal Chemistry published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C3H3Br2ClO, HPLC of Formula: 18791-02-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Park, Jung Gyu published the artcileConnectivity mapping of angiotensin-PPAR interactions involved in the amelioration of non-alcoholic steatohepatitis by Telmisartan, Application In Synthesis of 637-07-0, the publication is Scientific Reports (2019), 9(1), 1-11, database is CAplus and MEDLINE.

Nonalcoholic fatty liver disease (NAFLD) is a global health problem that is associated with various metabolic disorders. Telmisartan is a potential treatment for NAFLD due to its ability to improve insulin sensitivity and decrease hepatic fat accumulation via modulation of PPARγ, and to suppress hepatic fibrosis by blocking angiotensin II receptors. However, the underlying mechanisms of action of telmisartan have yet to be fully elucidated. In the present study, diabetic nonalcoholic steatohepatitis (NASH) mice (STAM mice) received daily administrations of telmisartan for 6 wk to assess the improvements in NASH. Hepatic transcriptome analyses revealed that the amelioration of NASH likely occurred through the regulation of inflammatory- and fibrosis-related gene responses. An integrated network anal. including transcriptional and non-transcriptional genes regulated by telmisartan showed that the NAFLD pathway is interconnected with the dysregulated RAS-PPAR-NFκB pathways. The downstream targets of PPARα, PPARδ, and RELA in this network significantly overlapped with telmisartan-induced differentially expressed genes (DEGs), which were verified in palmitate-treated Hepa1c1c7 cell line. This transcriptome approach accompanied with cell-based mol. analyses provided the opportunity to understand the fundamental mol. mechanisms underpinning the therapeutic effects of telmisartan, and will contribute to the establishment of a novel pharmacol. treatment for NASH patients.

Scientific Reports published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Application In Synthesis of 637-07-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ahdenov, Reza published the artcileEelectrosynthesis of benzothiazole derivatives via C-H thiolation, Synthetic Route of 3696-23-9, the publication is Heterocyclic Communications (2022), 28(1), 67-74, database is CAplus.

Benzothiazole derivatives are essential intermediates in synthesizing a wide variety of medical and pharmaceutical compounds, and there is a great demand for a simple and efficient method to synthesize benzothiazoles under mild reaction conditions. Organic electrosynthesis as an energy-efficient process represents an environmentally benign and safer method than traditional methods for organic synthesis. Herein, authors present bromine-free and straightforward synthesis of 2-amino benzothiazole derivatives via the reaction of aniline derivatives and ammonium thiocyanate using electrosynthesis in the presence of sodium bromide both as an electrolyte and as a brominating agent at room temperature in iso-Pr alc. (i-PrOH) as a solvent. The reaction of ammonium thiocyanate via C-H thiolation routes, using various aniline derivatives, resulted in a simple, green, and bromine-free synthesis of 2-amino benzothiazole in moderate to good yields under mild reaction conditions. Riluzole drug can be produced using the same procedure in moderate yields.

Heterocyclic Communications published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Synthetic Route of 3696-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Khayyat, Ahdab N. published the artcileDesign, Synthesis, and Antipoliferative Activities of Novel Substituted Imidazole-Thione Linked Benzotriazole Derivatives, Application In Synthesis of 3696-23-9, the publication is Molecules (2021), 26(19), 5983, database is CAplus and MEDLINE.

A new series of benzotriazole moiety bearing substituted imidazol-2-thiones I [R = H, 4-Me, 2-F, etc.] at N1 was designed, synthesized and evaluated for in vitro anticancer activity against the different cancer cell lines MCF-7(breast cancer), HL-60 (Human promyelocytic leukemia), and HCT-116 (colon cancer). Most of the benzotriazole analogs exhibited promising antiproliferative activity against tested cancer cell lines. Among all the synthesized compounds, I [R = 2,4-di-Cl] showed potent activity against the cancer cell lines such as MCF-7, HL-60 and HCT-116 with IC₅₀ 3.57, 0.40 and 2.63μM, resp. Compound I [R = 2,4-di-Cl] was taken up for elaborate biol. studies and the HL-60 cells in the cell cycle were arrested in G2/M phase. Compound I [R = 2,4-di-Cl] showed remarkable inhibition of tubulin polymerization with the colchicine binding site of tubulin. In addition, compound I [R = 2,4-di-Cl] promoted apoptosis by regulating the expression of pro-apoptotic protein BAX and anti-apoptotic proteins Bcl-2. These results provide guidance for further rational development of potent tubulin polymerization inhibitors for the treatment of cancer.

Molecules published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Application In Synthesis of 3696-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hoejer Holmgren, Karin published the artcileRoute Determination of Sulfur Mustard Using Nontargeted Chemical Attribution Signature Screening, Safety of 1,2-Bis(2-chloroethyl)disulfane, the publication is Analytical Chemistry (Washington, DC, United States) (2021), 93(11), 4850-4858, database is CAplus and MEDLINE.

Route determination of sulfur mustard was accomplished through comprehensive nontargeted screening of chem. attribution signatures. Sulfur mustard samples prepared via 11 different synthetic routes were analyzed using gas chromatog./high-resolution mass spectrometry. A large number of compounds were detected, and multivariate data anal. of the mass spectrometric results enabled the discovery of route-specific signature profiles. The performance of two supervised machine learning algorithms for retrospective synthetic route attribution, orthogonal partial least squares discriminant anal. (OPLS-DA) and random forest (RF), were compared using external test sets. Complete classification accuracy was achieved for test set samples (2/2 and 9/9) by using classification models to resolve the one-step routes starting from ethylene and the thiodiglycol chlorination methods used in the two-step routes. Retrospective determination of initial thiodiglycol synthesis methods in sulfur mustard samples, following chlorination, was more difficult. Nevertheless, the large number of markers detected using the nontargeted methodol. enabled correct assignment of 5/9 test set samples using OPLS-DA and 8/9 using RF. RF was also used to construct an 11-class model with a total classification accuracy of 10/11. The developed methods were further evaluated by classifying sulfur mustard spiked into soil and textile matrix samples. Due to matrix effects and the low spiking level (0.05% weight/weight), route determination was more challenging in these cases. Nevertheless, acceptable classification performance was achieved during external test set validation: chlorination methods were correctly classified for 12/18 and 11/15 in spiked soil and textile samples, resp.

Analytical Chemistry (Washington, DC, United States) published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Safety of 1,2-Bis(2-chloroethyl)disulfane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Dyrager, Christine published the artcileDesign, Synthesis, and Biological Evaluation of Chromone-Based p38 MAP Kinase Inhibitors, Category: chlorides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2011), 54(20), 7427-7431, database is CAplus and MEDLINE.

3-(4-Fluorophenyl)-2-(4-pyridyl)chromone derivatives were synthesized and evaluated as p38 MAP kinase inhibitors. Introduction of an amino group in the 2-position of the pyridyl moiety gave p38α inhibitors with IC₅₀ in the low nanomolar range. For instance, 3-(4-fluorophenyl)-2-[-2-(isopropylamino)-4-pyridinyl]chromone (I) has IC₅₀ of 17 nm. I and its cyclohexylamino counterpart showed excellent selectivity profiles when tested on a panel of 62 kinases, as well as efficient inhibition of p38 signaling in human breast cancer cells.

Journal of Medicinal Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fitch, Steven J. published the artcileNuclear magnetic resonance study of the P-C(OH)-P to P-CO-P rearrangement: Tetraethyl-I-hydroxyalkylidenediphosphonates, COA of Formula: C5H10Cl3O3P, the publication is Journal of the American Chemical Society (1962), 1876-9, database is CAplus.

Compounds previously reported (Cade, CA 54, 264e) to have the structure RC(OH)[P(O)(OR’)₂]₂ (I) are found to be isomeric rearrangement products of I, RCH[P(O)(OR’)₂] [OP(O)(OR’)₂] (II). P³¹ and H¹ nuclear magnetic resonance (N.M.R.) spectra, infrared spectra, and chem. evidence support structure II. MeC(O)P(O)(OEt)₂ (30 g.) and 23 g. HP(O)(OEt)₂ (III) treated with a drop of NaOEt soluble produced an exothermic reaction. The product, on cooling overnight at 0°, gave hygroscopic crystals of I (R = Me, R’ = Et)(IV), m. 38.0-8.9°, P³¹ n.m.r. peak (in H₂O) at -20.8 p.p.m. (neg. values downfield from 85% orthophosphoric acid standard). The above reaction mixture held 30 hrs. at 50° and distilled gave mainly II (R = Me, R’ = Et) (V), b₀.₁ 130-6°, P³¹ n.m.r. peaks at -21.1 and + 1.7 p.p.m., previously reported as IV. IV heated 10 min. at 125° with NaOEt gave V. BzP(O)(OEt)₂ (242 g.), 138 g. III, and a trace of NaOEt heated 4 hrs. at 105° and distilled gave 55% II (R = Ph, R’ = Et), b₀.₁ 171-4°, n²⁵_D 1.4776, small mol. P³¹ n.m.r. peaks at -16.2 and +1.4 p.p.m. I (R = Ph, R’ = Et) could not be isolated at the lowest usable reaction temperature V, heated with PCl₅ in CCl₄ and hydrolyzed, gave H₃PO₄ and MeCHClPO₃H₂. IV and HCl gave I (R = Me, R’ = H), m. 155° (decomposition), P³¹ n.m.r. peaks at -23.0 p.p.m. The H¹ n.m.r. spectrum of IV showed 2 triplets in the methyl region (J = 7 and 16 cycles/sec.). A double resonance exp. showed that the smaller triplet arose from P-H coupling and that a downfield multiplet was resolved to a quartet. The Me region of V simplified to overlapping triplets and a small doublet under double resonance. The infrared spectrum of IV showed absorption at 3180 (OH), 1260 (P:O) and 1163 (POEt) cm.^-1 while anhydrous V had no absorption in the OH region.

Journal of the American Chemical Society published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, COA of Formula: C5H10Cl3O3P.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics