Month: December 2022

Golubeva, E. N. published the artcileInfluence of the nuclearity of copper(II) chloride complexes on their activity in catalytic C-Cl bond metathesis, Formula: C19H34ClN, the publication is Kinetics and Catalysis (2008), 49(5), 737-742, database is CAplus.

Catalytic systems containing mainly mononuclear (CuCl₄^2-) or dinuclear (Cu₂Cl₆^2-) tributylbenzylammonium chlorocuprates are prepared by adsorption on silica surfaces of different structures (Aerosil and Silokhrom). Using ESR, XANES, and electronic spectroscopy, the CuCl₄^2- ions are shown to be reduced rapidly under conditions of C-Cl bond metathesis, whereas the dinuclear chlorocuprates are relatively stable. A correlation between the number of copper ions in the chlorocuprate anion and its catalytic activity is established: the mononuclear complexes are several times more active than their dinuclear counterparts.

Kinetics and Catalysis published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Formula: C19H34ClN.

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

Ciordia, Myriam published the artcileApplication of Free Energy Perturbation for the Design of BACE1 Inhibitors, Name: (3-Chloro-5-cyanophenyl)boronic acid, the publication is Journal of Chemical Information and Modeling (2016), 56(9), 1856-1871, database is CAplus and MEDLINE.

Novel spiroaminodihydropyrroles probing for optimized interactions at the P3 pocket of β-secretase 1 (BACE1) were designed with the use of free energy perturbation (FEP) calculations The resulting mols. showed pIC₅₀ potencies in enzymic BACE1 inhibition assays ranging from approx. 5 to 7. Good correlation was observed between the predicted activity from the FEP calculations and exptl. activity. Simulations run with a default 5 ns approach delivered a mean unsigned error (MUE) between prediction and experiment of 0.58 and 0.91 kcal/mol for retrospective and prospective applications, resp. With longer simulations of 10 and 20 ns, the MUE was in both cases 0.57 kcal/mol for the retrospective application, and 0.69 and 0.59 kcal/mol for the prospective application. Other considerations that impact the quality of the calculations are discussed. This work provides an example of the value of FEP as a computational tool for drug discovery.

Journal of Chemical Information and Modeling published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Name: (3-Chloro-5-cyanophenyl)boronic acid.

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

Wang, Fuxiang published the artcileSynthesis of clozapine, Related Products of chlorides-buliding-blocks, the publication is Zhongguo Yiyao Gongye Zazhi (2013), 44(10), 969-971, database is CAplus.

Compounds 2,5-dichloronitrobenzene and anthranilic acid were reacted in the presence of potassium carbonate with DMF as solvent to produce 2-(4-chloro-2-nitroanilino)benzoic acid, which was reduced to 2-(2-amino-4-chloroanilino)benzoic acid (5) by hydrazine hydrate and FeCl₃· 6H₂O. Catalyzed by polyphosphoric acid in xylene, compound 5 was cyclized into 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, which was coupled with N-methylpiperazine in the presence of titanium tetrachloride to give clozapine. The overall yield was 43%, based on 2,5-dichloronitrobenzene.

Zhongguo Yiyao Gongye Zazhi published new progress about 60091-87-4. 60091-87-4 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitro Compound,Carboxylic acid,Amine,Benzene, name is 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid, and the molecular formula is C24H20Ge, Related Products of chlorides-buliding-blocks.

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

Chen, Jun published the artcileDiscovery of 1-(4-((3-(4-methylpiperazin-1-yl)propyl)amino)benzyl)-5-(trifluoromethyl)pyridin-2(1H)-one, an orally active multi-target agent for the treatment of diabetic nephropathy, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(2), 222-229, database is CAplus and MEDLINE.

Oxidative stress, inflammation and fibrosis can cause irreversible damage on cell structure and function of kidney and are key pathol. factors in Diabetic Nephropathy (DN). Therefore, multi-target agents are urgently need for the clin. treatment of DN. Using Pirfenidone as a lead compound and based on the previous research, two novel series (5-trifluoromethyl)-2(1H)-pyridone analogs were designed and synthesized. SAR of (5-trifluoromethyl)-2(1H)-pyridone derivatives containing nitrogen heterocyclic ring have been established for in vitro potency. In addition, compound I, a novel agent that act on multiple targets of anti-DN with IC₅₀ of 90 μM in NIH3T3 cell lines, t_1/2 of 4.89 ± 1.33 h in male rats and LD₅₀ > 2000 mg/kg in mice, has been advanced to preclin. studies as an oral treatment for DN.

Bioorganic & Medicinal Chemistry Letters 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, Safety of 3-Chloro-4-fluoronitrobenzene.

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

Liu, Yang published the artcileDiscovery of novel Ponatinib analogues for reducing KDR activity as potent FGFRs inhibitors, COA of Formula: C6H4ClNO2, the publication is European Journal of Medicinal Chemistry (2017), 122-132, database is CAplus and MEDLINE.

FGF receptors (FGFRs) are tyrosine kinases that are overexpressed in diverse tumors by genetic alterations such as gene amplifications, somatic mutations and translocations. Owing to this characteristic, FGFRs are attractive targets for cancer treatment. It has been demonstrated that most multi-targeted, ATP competitive tyrosine kinase inhibitors are active against FGFRs as well as other kinases. The design of new and more selective inhibitors of FGFRs, which might be reduced off-target and side effects, is a difficult yet significant challenge. The results of the current investigation, show that novel Ponatinib analogs are highly active as FGFR inhibitors and that they possess reduced kinase insert domain receptor (KDR) activities. Observations made in a structure and activity relationship (SAR) investigation led to the development of a promising, orally available lead compound 4-chloro-N-(4-((4-methylpiperazin-1-yl) methyl)-3-(trifluoromethyl) phenyl)-3-((5-morpholinopyridin-3-yl) ethynyl) benzamide (compound 4, I), which displays a 50-100-fold in vitro selectivity for inhibition of FGFR1-3 over KDR. In addition, biol. evaluation of I showed that it displays significant antitumor activities in FGFR1-amplificated H1581 and FGFR2-amplificated SNU-16 xenograft models.

European 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, COA of Formula: C6H4ClNO2.

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

Ye, Xiaohan published the artcileGold-Catalyzed Oxidative Coupling of Alkynes toward the Synthesis of Cyclic Conjugated Diynes, SDS of cas: 21286-54-4, the publication is Chem (2018), 4(8), 1983-1993, database is CAplus and MEDLINE.

Gold-catalyzed oxidative coupling of alkynes was developed as an efficient approach for the synthesis of challenging cyclic conjugated diynes (CCD), e.g., I. Compared with the classic copper-promoted oxidative coupling reaction of alkynes, this gold-catalyzed process exhibited a faster reaction rate due to rapid reductive elimination from the Au(III) intermediate. This unique reactivity thus allowed a challenging diyne macrocyclization to take place with high efficiency. Condition screening revealed an [(n-Bu)₄N]⁺[Cl-Au-Cl]^– salt as the optimal pre-catalyst. Macrocycles with ring size between 13 and 28 atoms were prepared in moderate to good yields, which highlighted the broad substrate scope of this new strategy. Furthermore, the synthetic utilities of the CCDs for copper-free click chem. have been demonstrated, showcasing the potential application of this strategy in biol. systems.

Chem published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C9H16BNO2, SDS of cas: 21286-54-4.

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

Cheng, Huicheng published the artcileHighly efficient synthesis of aryl and heteroaryl trifluoromethyl ketones via o-iodoxybenzoic acid (IBX), Product Details of C8H4ClF3O, the publication is Tetrahedron Letters (2013), 54(33), 4483-4486, database is CAplus.

A 2-step process for the synthesis of aryl and heteroaryl trifluoromethyl ketones from the corresponding aldehydes is described. Trifluoromethyl alcs. were prepared from aryl and heteroaryl aldehydes in excellent yields using catalytic amounts of K₂CO₃. The trifluoromethyl alcs. were then oxidized conveniently and efficiently by 2-iodoxybenzoic acid (IBX) under mild conditions to give the desired functionalized aryl and heteroaryl trifluoromethyl ketones.

Tetrahedron Letters published new progress about 5860-95-7. 5860-95-7 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Benzene,Ketone, name is 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, and the molecular formula is C8H4ClF3O, Product Details of C8H4ClF3O.

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

Li, Ziyong published the artcileDithienylethene-bridged difluoroboron β-diketonate dyes: Optical switching behaviors and triple sensing for volatile amine vapors, Computed Properties of 219537-97-0, the publication is Dyes and Pigments (2020), 108419, database is CAplus.

Developing new visible light-triggered NIR photochromic sensors for the accurate detection of volatile amine vapors in the solid state is highly desirable. Herein, three novel dithienylethene-bridged difluoroboron β-diketonate dyes Di-BF₂bdk-DTE1-Di-BF₂bdk-DTE3, in which BF₂bdk group not only functions as electron acceptor but also responds to amine vapors, have been developed. Upon alternating irradiation with blue light (460-470 nm) and near-IR light (760-770 nm), they displayed excellent NIR photochromism and fluorescent switching behaviors in toluene and in the PMMA film. Moreover, they showed an unprecedented triple sensing performance for volatile n-propylamine vapor in the PMMA film state (fluorescent-colorimetric-colorimetric). Therefore, they would be utilized as triple sensing membranes for selective detection towards volatile primary or secondary amine vapors in environmental and biol. systems.

Dyes and Pigments published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Computed Properties of 219537-97-0.

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

Li, Ziyong published the artcileBlue-/NIR light-excited fluorescence switch based on a carbazole-dithienylethene-BF₂bdk triad, Synthetic Route of 219537-97-0, the publication is Journal of Organic Chemistry (2019), 84(21), 13364-13373, database is CAplus and MEDLINE.

The development of novel solid-state fluorescence switches, particularly triggered by visible light, is of increasing interest for the potential application in optical data storage and super-resolution fluorescence microscopies. In this study, two carbazole-dithienylethene-BF₂bdk triads CDB1 and CDB2, suspending carbazole and BF₂bdk moieties on both sides of dithienylethene unit, have been developed. They exhibit blue-/NIR light-controlled photochromism with solvent-dependent characteristics. Moreover, CDB1 (o) reveals blue-/NIR light-induced reversible fluorescent switching behaviors in toluene, chloroform, poly(Me methacrylate) (PMMA) film, and powder state, while its analog CDB2 (o) in the powder state exhibits no fluorescence due to a strong intermol. π-π stacking interaction, and the fluorescent switching performance is observed only in toluene and PMMA film. The d. functional theory calculations further validate the differences in their optical properties in the solution and powder states.

Journal of Organic Chemistry published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

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

Xu, Shengtao published the artcileSynthesis and antimycobacterial evaluation of natural oridonin and its enmein-type derivatives, Related Products of chlorides-buliding-blocks, the publication is Fitoterapia (2014), 300-306, database is CAplus and MEDLINE.

A series of enmein-type derivatives were synthesized and assayed for their antimycobacterial effects. The structures of the synthesized compounds were established by ¹H NMR, ¹³C NMR and mass spectral anal. All the compounds were screened for their antimycobacterial properties against Mycobacterium phlei, Mycobacterium smegmatis and Mycobacterium marinum. Compounds 2, 6g and 6i were found to exhibit potent antimycobacterial activity against M. phlei at a concentration of 0.5 μg/mL, which was comparable to that of pos. drug streptomycin. Furthermore, five compounds were tested against Mycobacterium tuberculosis H₃₇Rv based on the promising preliminary screening results. Among them, compound 10 showed potent activity with IC₅₀ value of 17.1 μg/mL against M. tuberculosis H₃₇Rv strain. Thus, compound 10 could emerge as a promising lead for further research work.

Fitoterapia 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 C19H17N3O, Related Products of chlorides-buliding-blocks.

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