Tag: M.W=150-200

Chen, Jianyang published the artcileFacile one-pot synthesis of diarylacetylenes from arylaldehydes via an addition-double elimination process, Safety of 3-Chlorobenzylchloride, the publication is Organic & Biomolecular Chemistry (2021), 19(21), 4701-4705, database is CAplus and MEDLINE.

A practical one-pot protocol has been developed to synthesize diarylacetylenes ArCCAr¹ (Ar = Ph, naphthalen-1-yl, furan-2-yl, etc.; Ar¹ = Ph, 4-chlorophenyl, naphthalen-2-yl, etc.) from arylaldehydes ArCHO by treatment with 1-(arylmethyl)benzotriazoles I and LiN(SiMe₃)₂. The reaction proceeded through imine formation, Mannich-type addition and double elimination to deliver products in up to 99% yields with broad substrate scope. In addition, gram-scale synthesis of diarylacetylene (Ar = 4-bromophenyl, Ar¹ = Ph) has been demonstrated.

Organic & Biomolecular Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Safety of 3-Chlorobenzylchloride.

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

Sun, Weimei published the artcileTargeting enteropeptidase with reversible covalent inhibitors to achieve metabolic benefits, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Journal of Pharmacology and Experimental Therapeutics (2020), 375(3), 510-521, database is CAplus and MEDLINE.

Inhibition of the serine protease enteropeptidase (EP) opens a new avenue to the discovery of chemotherapeutics for the treatment of metabolic diseases. Camostat has been used clin. for treating chronic pancreatitis in Japan; however, the mechanistic basis of the observed clin. efficacy has not been fully elucidated. We demonstrate that camostat is a potent reversible covalent inhibitor of EP, with an inhibition potency (kinact/KI) of 1.5 x 104 M-1s-1. High-resolution liquid chromatog.-mass spectrometry (LC-MS) showed addition of 161.6 Da to EP after the reaction with camostat, consistent with insertion of the carboxyphenylguanidine moiety of camostat. Covalent inhibition of EP by camostat is reversible, with an enzyme reactivation half-life of 14.3 h. Formation of a covalent adduct was further supported by a crystal structure resolved to 2.19 Å, showing modification of the catalytic serine of EP by a close analog of camostat, leading to formation of the carboxyphenylguanidine acyl enzyme identical to that expected for the reaction with camostat. Of particular note, minor structural modifications of camostat led to changes in the mechanism of inhibition. We observed from other studies that sustained inhibition of EP is required to effect a reduction in cumulative food intake and body weight, with concomitant improved blood glucose levels in obese and diabetic leptin-deficient mice. Thus, the structure-activity relationship needs to be driven by not only the inhibition potency but also the mechanistic and kinetic characterization. Our findings support EP as a target for the treatment of metabolic diseases and demonstrate that reversible covalent EP inhibitors show clin. relevant efficacy.

Journal of Pharmacology and Experimental Therapeutics 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 C12H10F2Si, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Wang, Dan published the artcileSupport vector machine and KStar models predict the o-dealkylation reaction mediated by cytochrome P450, Computed Properties of 33697-81-3, the publication is Wuli Huaxue Xuebao (2011), 27(2), 343-351, database is CAplus.

Nested prediction model was constructed based on support vector machines (SVM) and the KStar method. The models consisted of a mol. shape discriminative model for metabolites, which was used to predict the o-dealkylation reaction mediated by cytochrome P 450, in addition to the metabolic site discriminative model, which was used to judge C-O bond breaking in mols. 1280 Mol. descriptors including topol. descriptors, 2D autocorrelation descriptors, and geometric descriptors were calculated and to characterize the physicochem. properties of 272 mols. A mol. shape discriminative model, represented by the classification models, was constructed by machine learning methods including SVM, decision tree, Bayesian network, and k nearest neighbors method. The results showed that the SVM model was superior to the other methods. Twenty-six quantum chem. features including charge-related, valency-related, and energy-related features were calculated for the 538 metabolism sites for the o-dealkylation reaction in the metabolic site discriminative model. Machine learning methods including decision tree, Bayesian network, KStar, and the artificial neural network method were also used to develop classification models. It showed that the KStar model with its prediction accuracy, sensitivity, and specificity of more than 90% outperformed the other classification models. Fifteen traditional Chinese medicine medicinal mols. were used to validate the model. The results showed that the nested models had certain accuracy and could contribute to the prediction of metabolites from traditional Chinese medicines.

Wuli Huaxue Xuebao 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 C6H3ClFNO2, Computed Properties of 33697-81-3.

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

Li, He published the artcileAn improved method for the synthesis of phenylacetic acid derivatives via carbonylation, HPLC of Formula: 620-20-2, the publication is Journal of Chemical Research (2019), 43(11-12), 548-552, database is CAplus.

A series of phenylacetic acid derivatives RCH₂CO₂H [R = 2-ClC₆H₄, 4-MeC₆H₄, 2,4-Cl₂C₆H₃, etc.] was synthesized via bistriphenylphosphine palladium dichloride catalyzed carbonylation reaction of benzyl chloride derivatives in presence of tetraethylammonium chloride and sodium hydroxide as reagents and xylene as solvent at 80°C under a CO atm. 2,4-Dichlorophenylacetic acid was obtained in a maximum yield of 95% from 2,4-dichlorobenzyl chloride using the same reaction system.

Journal of Chemical Research published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, HPLC of Formula: 620-20-2.

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

Leimbacher, Markus published the artcileDiscovery of Small-Molecule Interleukin-2 Inhibitors from a DNA-Encoded Chemical Library, Recommanded Product: 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, the publication is Chemistry – A European Journal (2012), 18(25), 7729-7737, S7729/1-S7729/120, database is CAplus and MEDLINE.

Libraries of chem. compounds individually coupled to encoding DNA tags (DNA-encoded chem. libraries) hold promise to facilitate exceptionally efficient ligand discovery. We constructed a high-quality DNA-encoded chem. library comprising 30 000 drug-like compounds; this was screened in 170 different affinity capture experiments High-throughput sequencing allowed the evaluation of 120 million DNA codes for a systematic anal. of selection strategies and statistically robust identification of binding mols. Selections performed against the tumor-associated antigen carbonic anhydrase IX (CA IX) and the pro-inflammatory cytokine interleukin-2 (IL-2) yielded potent inhibitors with exquisite target specificity. The binding mode of the revealed pharmacophore against IL-2 was confirmed by mol. docking. Our findings suggest that DNA-encoded chem. libraries allow the facile identification of drug-like ligands principally to any protein of choice, including mols. capable of disrupting high-affinity protein-protein interactions.

Chemistry – A European Journal 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, Recommanded Product: 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride.

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

Lin, Runfeng published the artcileThe development of HEC-866 and its analogues for the treatment of idiopathic pulmonary fibrosis, Name: 3-Chloro-4-fluoronitrobenzene, the publication is RSC Medicinal Chemistry (2021), 12(7), 1222-1231, database is CAplus and MEDLINE.

Idiopathic pulmonary fibrosis (IPF) is a chronic progressive lung disease with a typical survival time between three to five years. Two drugs, pirfenidone and nintedanib have been approved for the treatment of IPF, but they have limited efficacy. Thus, the development of new drugs to treat IPF is an urgent medical need. In this paper we report the discovery of a series of orally active pyrimidin-4(3H)-one analogs which exhibit potent activity in in vitro assays. Among them, HEC-866 showed promising efficacy in rat IPF models. Since HEC-866 also had good oral bioavailability, a long half-life and favorable long-term safety profiles, it was selected for further clin. evaluation.

RSC 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 C6H3ClFNO2, Name: 3-Chloro-4-fluoronitrobenzene.

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

Wu, Jie published the artcileDesign, synthesis, and screening of novel ursolic acid derivatives as potential anti-cancer agents that target the HIF-1α pathway, Computed Properties of 620-20-2, the publication is Bioorganic & Medicinal Chemistry Letters (2019), 29(6), 853-858, database is CAplus and MEDLINE.

The transcription factor hypoxia-inducible factor-1α (HIF-1α) plays an important role in tumor angiogenesis, growth, and metastasis and is recognized as an important potential therapeutic target for cancer. Here, we designed and synthesized three novel series of ursolic acid derivatives containing an aminoguanidine moiety and evaluated them as HIF-1α inhibitors and anticancer agents using human cancer cell lines. Most of the compounds exhibited significant inhibition of HIF-1α transcriptional activity, as measured using a Hep3B cell-based luciferase reporter assay. Among these compounds, I was the most potent inhibitor of HIF-1α expression under hypoxic conditions (IC₅₀ 4.0 μM) and did not display significant cytotoxicity against any cell lines tested. The mechanism of action of I was investigated, we found that I downregulated HIF-1α protein expression, possibly by suppressing its synthesis, reduced production of vascular endothelial growth factor, and inhibited the proliferation of cancer cells.

Bioorganic & Medicinal Chemistry Letters published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C12H10FeO4, Computed Properties of 620-20-2.

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

Zhu, Bang-Chang published the artcilep-Arsanilic acid stabilizing titanium-oxo clusters with various core structures and light absorption behaviours, Related Products of chlorides-buliding-blocks, the publication is Inorganic Chemistry Communications (2017), 14-17, database is CAplus.

P-Arsanilic acid stabilizing polyoxo-titanium clusters (PTCs) were successfully synthesized through solvothermal method, which present {Ti₄}, {Ti₅} and {Ti₆} cores functionalized by different carboxylic acid ligands. PTC-111 displays a {Ti₄} core structure which is stabilized by glycolic acid and esterified p-arsanilic acid. PTC-112, PTC-113 and PTC-114 have isostructural {Ti₆} structures, functionalized by isonicotinic acid, 2-chloroisonicotinic acid and HOBz, resp. The {Ti₅} core of PTC-115 is functionalized by m-nitrobenzoic acid. It is interesting that the light absorption behaviors of these PTCs are dependent on their core structures and the functionalizing ligands.

Inorganic Chemistry Communications 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 C15H15OP, Related Products of chlorides-buliding-blocks.

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

Li, Nan published the artcileAnalysis of long chain sulphur mustard and related compounds by gas chromatography-mass spectrometry, Related Products of chlorides-buliding-blocks, the publication is Fenxi Shiyanshi (2003), 22(1), 86-89, database is CAplus.

The identification of sulfur-containing mustards was studied by gas chromatog.-mass spectrometry. Under the applied conditions, the anal. species were separated effectively with the capillary columns coated with SE-54 stationary phases from the mixture solution Electron-impact pos.-ion mass spectral cleavage mechanisms of sulfur-mustards were discussed in detail. From the mass spectra, general fragmentation pathways of these compounds were derived.

Fenxi Shiyanshi 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, Related Products of chlorides-buliding-blocks.

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

Zhu, Chunfang published the artcileStructure and Activity of the Camellia oleifera Sapogenin Derivatives on Growth and Biofilm Inhibition of Staphylococcus aureus and Escherichia coli, SDS of cas: 620-20-2, the publication is Journal of Agricultural and Food Chemistry (2019), 67(51), 14143-14151, database is CAplus and MEDLINE.

Sapogenin is the main block of Camellia oleifera saponin, which was purified and structurally modified by the C₂₈ acylation reaction to synthesize 19 new derivatives The growth and biofilm inhibition of Staphylococcus aureus and Escherichia coli was measured to evaluate their antibacterial effects. A three-dimensional quant. structure-activity relationship (3D-QSAR) assay indicated that the antibacterial activities were significantly enhanced after sapogenin was modified with an aromatic ring or heterocyclic ring and electron-withdrawing substituents at the meta or para position. Among them, the derivative of sapogenin with a 2-mercapto-4-methyl-5-thiazolyl acetyl group obviously destroyed bacterial biofilm and made bacteria lysis. 3D-QSAR provides practical information for the structural design of sapogenin derivatives with strong antibacterial activity, and the C. oleifera sapogenin derivative 28-O-(2-mercapto-4-methyl-5-thiazolyl)-3β,16α,21β,22α-O-tetrahydroxy-oleantel-2-ene-23-aldehyde (S-16) is an effective candidate as an antibacterial agent for the prevention of bacterial resistance against antibiotics.

Journal of Agricultural and Food Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C17H20ClN3, SDS of cas: 620-20-2.

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