Tag: M.W=150-200

Song, Zhendong published the artcileSynthesis and biological evaluation of morpholine-substituted diphenylpyrimidine derivatives (Mor-DPPYs) as potent EGFR T790M inhibitors with improved activity toward the gefitinib-resistant non-small cell lung cancers (NSCLC), Formula: C6H3ClFNO2, the publication is European Journal of Medicinal Chemistry (2017), 329-339, database is CAplus and MEDLINE.

Potential new EGFR^T790M inhibitors comprising of structurally modified diphenylpyrimidine derivatives bearing a morpholine functionality (Mor-DPPYs), e.g., I were synthesized and used to improve the activity and selectivity of gefitinib-resistant non-small cell lung cancer (NSCLC) treatment. This led to the identification of inhibitor I, which displayed high activity against EGFR^T790M/L858R kinase (IC₅₀ = 0.71 nM) and repressed H1975 cell replication harboring EGFR^T790M mutations at a concentration of 0.037 μM. Inhibitor I demonstrated high selectivity (SI = 631.9) for T790M-containing EGFR mutants over wild type EGFR and suggested that it will cause few side effects. Moreover, this compound also shows promising antitumor efficacy in a murine EGFR^T790M/L858R-driven H1975 xenograft model without affecting body weight This study provides new potential lead compounds for further development of anti-NSCLC drugs.

European Journal of Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C10H10O2, Formula: C6H3ClFNO2.

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

Guo, Yanghui published the artcileDiscovery and Optimization of Highly Potent and Selective AT₂R Antagonists to Relieve Peripheral Neuropathic Pain, Formula: C8H6ClF3, the publication is ACS Omega (2021), 6(23), 15412-15420, database is CAplus and MEDLINE.

The angiotensin II type 2 receptor (AT₂R) has attracted much attention as a potential target for the relief of neuropathic pain, which represents an area of unmet clin. need. A series of 1,2,3,4-tetrahydroisoquinolines with a benzoxazole side-chain were discovered as potent AT₂R antagonists. Rational optimization resulted in compound 15, which demonstrated both excellent antagonistic activity against AT₂R in vitro and analgesic efficacy in a rat chronic constriction injury model. Its favorable physicochem. properties and oral bioavailability make it a promising therapeutic candidate for neuropathic pain.

ACS Omega published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Formula: C8H6ClF3.

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

Wils, E. R. J. published the artcileDetermination of mustard gas and related vesicants in rubber and paint by gas chromatography-mass spectrometry, Recommanded Product: 1,2-Bis(2-chloroethyl)disulfane, the publication is Journal of Chromatography (1992), 625(2), 382-6, database is CAplus.

The determination of mustard gas (2,2′-dichlorodiethyl sulfide) and some related vesicants in rubber and paint was investigated. The vesicants were isolated by extraction with CH₂Cl₂ or by dynamic headspace anal. at elevated temperatures The latter procedure had the advantage that high-boiling additives did not interfere during the anal. by capillary column gas chromatog.-mass spectrometry. The stability of the vesicants in the materials used proved to be good. No great losses were found after storage for weeks at room temperature

Journal of Chromatography 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 C9H12O, Recommanded Product: 1,2-Bis(2-chloroethyl)disulfane.

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

Lu, Nan published the artcileDrug repurposing: Discovery of troxipide analogs as potent antitumor agents, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is European Journal of Medicinal Chemistry (2020), 112471, database is CAplus and MEDLINE.

Drug repurposing plays a vital role in the discovery of undescribed bioactivities in clin. drugs. Based on drug repurposing strategy, we for the first time reported a novel series of troxipide analogs and then evaluated their antiproliferative activity against MCF-7, PC3, MGC-803, and PC9 cancer cell lines and WPMY-1, most of which showed obvious selectivity toward PC-3 over the other three cancer cell lines and WPMY-1. Compound 5q(I), especially, could effectively inhibit PC3 with an IC₅₀ value of 0.91μM, which exhibited around 53-fold selectivity toward WPMY-1. Data indicated that 5q effectively inhibited the colony formation, suppressed the cell migration, and induced G1/S phase arrest in PC3 cells. Also, compound 5q induced cell apoptosis by activating the two apoptotic signaling pathways in PC3 cells: death receptor-mediated extrinsic pathway and mitochondria-mediated intrinsic pathway. Compound 5q up-regulated the expression of both pro-apoptotic Bax and P53, while down-regulated anti-apoptotic Bcl-2 expression. Besides, compound 5q significantly increased the expression of cleaved caspase 3/9 and cleaved PARP. Therefore, the successful discovery of compound 5q may further validate the feasibility of this theory, which will encourage researchers to reveal undescribed bioactivities in traditional drugs.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Noh, U. published the artcilePhototrophic degradation of (2-Cl)-phenol by Rhodopseudomonas palustris: a pathway combining anaerobic and aerobic reactions, Quality Control of 33697-81-3, the publication is Mededelingen – Faculteit Landbouwkundige en Toegepaste Biologische Wetenschappen (Universiteit Gent) (1998), 63(4b), 1867-1872, database is CAplus.

The advantage of anaerobic degradation processes of recalcitrant aromatic compounds are relatively low production of biomass and the possibility of dehalogenation of highly chlorinated compounds Phototrophic bacteria are known for their diverse metabolism, however, there is only little information about phototrophic degradation of phenol and chlorinated aromatic compounds Newly isolated and culture collection strains of Rhodopseudomonas palustris could transform 2-chlorophenol under phototrophic conditions in the presence of a second carbon source to 3-chloro-4-hydroxyphenylacetic acid, which were identified by HPLC, GC-MS and NMR anal. Dechlorination was demonstrated by stoichiometric release of Cl^– in the culture fluid. The occurrence of 4-hydroxyphenylacetic acid has never been observed in the degradation of phenol under methanogenic or nitrate reducing conditions, where phenol is first carboxylated to benzoate or p-hydroxybenzoate prior to reduction of the aromatic ring and complete mineralization. Further degradation of 4-hydroxyphenylacetic acid by R. palustris required oxygen, presumably for mono- and dioxygenases, which catalyze the ring cleaving reaction. In continuous cultures the amount of oxygen could be kept low enough to allow further degradation of 4-hydroxyphenylacetic acid and the expression of nitrogenase. Under these conditions phenolic compounds might be mineralized to mol. hydrogen and CO₂.

Mededelingen – Faculteit Landbouwkundige en Toegepaste Biologische Wetenschappen (Universiteit Gent) published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Quality Control of 33697-81-3.

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

Hoyerova, Klara published the artcileAuxin molecular field maps define AUX1 selectivity: many auxin herbicides are not substrates, Application of 3-Chloro-4-hydroxyphenylacetic acid, the publication is New Phytologist (2018), 217(4), 1625-1639, database is CAplus and MEDLINE.

Summary : Developmental responses to auxin are regulated by facilitated uptake and efflux, but detailed mol. understanding of the carrier proteins is incomplete. We have used pharmacol. tools to explore the chem. space that defines substrate preferences for the auxin uptake carrier AUX1. Total and partial loss-of-function aux1 mutants were assessed against wild-type for dose-dependent resistance to a range of auxins and analogs. We then developed an auxin accumulation assay with associated math. modeling to enumerate accurate IC50 values for a small library of auxin analogs. The structure activity relationship data were analyzed using mol. field analyses to create a pharmacophoric atlas of AUX1 substrates. The uptake carrier exhibits a very high level of selectivity towards small substrates including the natural indole-3-acetic acid, and the synthetic auxin 2,4-dichlorophenoxyacetic acid. No AUX1 activity was observed for herbicides based on benzoic acid (dicamba), pyridinyloxyacetic acid (triclopyr) or the 6-arylpicolinates (halauxifen), and very low affinity was found for picolinic acid-based auxins (picloram) and quinolinecarboxylic acids (quinclorac). The atlas demonstrates why some widely used auxin herbicides are not, or are very poor substrates. We list mol. descriptors for AUX1 substrates and discuss our findings in terms of herbicide resistance management.

New Phytologist published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Application of 3-Chloro-4-hydroxyphenylacetic acid.

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

Liu, Jian-Li published the artcilePalladium-catalyzed carbonylative synthesis of 3-arylquinolin-2(1H)-ones from benzyl chlorides and o-nitrobenzaldehydes, SDS of cas: 939-99-1, the publication is Molecular Catalysis (2021), 111842, database is CAplus.

A palladium-catalyzed carbonylative cyclization of benzyl chlorides RCH₂Cl (R = Ph, naphthalen-2-yl, pyridin-3-yl, etc.) with o-nitrobenzaldehydes R¹CHO (R¹ = 2-nitrophenyl, 6-nitro-2H-1,3-benzodioxol-5-yl, 4-[methoxy(oxo)methane]-2-nitrophenyl, etc.) has been developed for the synthesis of 3-arylquinolin-2(1H)-ones I (R² = H, Me, F, Cl, methoxycarbonyl; R³ = H, OMe, F, Cl; R²R³ = -(OCH₂O)-). Mo(CO)₆ played a dual role as both a CO surrogate and a reductant in this carbonylative transformation.

Molecular Catalysis published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, SDS of cas: 939-99-1.

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

Wei, Zuojun published the artcileNitrogen-Doped Graphene-Supported Iron Catalyst for Highly Chemoselective Hydrogenation of Nitroarenes, Synthetic Route of 350-30-1, the publication is ChemCatChem (2018), 10(9), 2009-2013, database is CAplus.

A nitrogen-doped graphene-supported iron catalyst was used for the first time in hydrogenation of a series of nitroarenes to give the corresponding aromatic amines ArNH₂ [Ar = Ph, 4-H₂CCNC₆H₄, 2-Cl-3-pyridyl, etc.] with excellent activity and chemoselectivity under mild reaction conditions. Physicochem. characterization of the catalyst by transmission electron microscopy, X-ray diffraction, XPS and Moessbauer spectroscopy revealed the formation of iron particles with an iron oxide core and a metallic iron shell that were coated by a few layers of nitrogen-doped graphene. The unique structure of FeN_x/C in the catalyst proved to contribute to the hydrogenation activity.

ChemCatChem published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C10H15NO, Synthetic Route of 350-30-1.

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

Hand, Owen W. published the artcileOrganic reactions at surfaces: a study of carnitine by secondary ion mass spectrometry, Synthetic Route of 6249-56-5, the publication is Organic Mass Spectrometry (1988), 23(1), 16-25, database is CAplus.

Carnitine inner salt, Me₃N⁺CH₂CH(OH)CH₂CO₂^–, and carnitine hydrochloride, Me₃N⁺CH₂CH(OH)CH₂CO₂H Cl^–, in the solid state undergo ion-beam-induced intermol. Me transfer reactions as shown by Me₃N⁺CH₂CH(OH)CH₂CO₂Me ions at m/z 176 in their pos. ion spectra. In the case of carnitine HCl, the product ion is three times as abundant as the intact cation. For the inner salt however, the product is less than one-tenth as abundant as [M + H]⁺. In both cases, the reaction can be precluded by dissolution of the sample, supporting an intermol. mechanism. The neg. ion spectra for these compounds contain no [M – CH₃]^– ions, suggesting that simple transmethylation does not occur. Rather it is proposed that the inner salt abstracts a Me group from the intact carnitine cation to yield [M + CH₃]⁺ and a neutral species, the driving force being a minimization of the total number of charges desorbed into the gas phase. Thermodn. data favor this mechanism as do data for other carnitine salts. The reaction appears to be inhibited when one reactant is present in excess. This is the case for carnitine HNO₃ and CH₃SO₃H, which tend to liberate the intact cation since the anions are large and polarizable. It is also the case for small, hard anions like fluoride, which appear to favor release of the inner salt, hence the cation at m/z 162 is of low abundance and the transmethylation product (m/z 176) is absent. The extent of the reaction is also dependent on the methods of preparation of the sample, and deposition of the salts from solution greatly reduces the extent of Me transfer. [M – CH₃]^– is observed when glycerol is used as a matrix, possibly due to a matrix-analyte Me transfer reaction.

Organic Mass Spectrometry published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Synthetic Route of 6249-56-5.

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

Chou, Chun-Cheng published the artcile4,4′,5,5′-tetracarboxy-2,2′-bipyridine Ru(II) sensitizers for dye-sensitized solar cells, Category: chlorides-buliding-blocks, the publication is Inorganic Chemistry (2014), 53(16), 8593-8599, database is CAplus and MEDLINE.

Two Ru(II) sensitizers TCR-1 and TCR-2 bearing four carboxy anchoring groups were prepared using 4,4′,5,5′-tetraethoxycarbonyl-2,2′-bipyridine chelate and 4-(5-hexylthien-2-yl)-2-(3-trifluoromethyl-1H-pyrazol-5-yl)pyridine and 6-t-butyl-1-(3-trifluoromethyl-1H-pyrazol-5-yl)isoquinoline, resp. Dissolution of these sensitizers in DMF solution afforded a light green solution up to 10^-5 M, for which their color gradually turned red upon further dilution and deposition on the surface of a TiO₂ photoanode due to the spontaneous deprotonation of carboxylic acid groups. These sensitizers were characterized using electrochem. means and structural anal. time-dependent d. functional theory (TDDFT) simulation and were also subjected to actual device fabrication. The as-fabricated DSC devices showed overall efficiencies η = 6.16% and 6.23% vs. their 4,4′-dicarboxy counterparts TFRS-2 and TFRS-52 with higher efficiencies of 7.57% and 8.09%, using electrolyte with 0.2 M LiI additive. Their inferior efficiencies are possibly caused by the combination of blue-shifted absorption on TiO₂, inadequate dye loading, and the perpendicularly oriented central carboxy groups.

Inorganic 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