Month: December 2022

Otto, Sijbren published the artcileDynamic Combinatorial Libraries of Macrocyclic Disulfides in Water, Safety of 2,3-Dibromopropionylchloride, the publication is Journal of the American Chemical Society (2000), 122(48), 12063-12064, database is CAplus.

The disulfide exchange reaction was employed to generate dynamic combinatorial libraries (DCLs) of macrocyclic disulfides starting from five structurally diverse dithiol building blocks, e.g. I and II. The diverse library forms under mild conditions in a single step and surpasses existing DCLs in the fact that no external catalyst is required for the exchange process.

Journal of the American Chemical Society 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, Safety of 2,3-Dibromopropionylchloride.

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

Homma, Yuki published the artcileRuthenium-catalyzed regio- and site-selective ortho C-H borylation of phenol derivatives, Recommanded Product: 3-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, the publication is Chemical Communications (Cambridge, United Kingdom) (2020), 56(73), 10710-10713, database is CAplus and MEDLINE.

Efficient synthesis of o-borylphenols, e.g. I, is achieved through the Ru-catalyzed regio- and site-selective sp² C-H borylation of aryl diphenylphosphinites followed by removal of the phosphorus directing group. A successful application to aryl phosphites enables practical one-pot borylation of phenols, demonstrating high synthetic utility of this protocol.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1451391-17-5. 1451391-17-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Phenol,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is 3-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, and the molecular formula is C12H16BClO3, Recommanded Product: 3-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

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

Kisui, Fumiya published the artcileStrain and sex differences in drug hydrolase activities in rodent livers, Related Products of chlorides-buliding-blocks, the publication is European Journal of Pharmaceutical Sciences (2020), 105143, database is CAplus and MEDLINE.

Carboxylesterase (CES) 1, CES2, and arylacetamide deacetylase (AADAC) are the major drug hydrolases in humans, and they have different substrate preferences. Because rodents are widely used in preclin. studies, we aimed to clarify the extent of the species, strain, and sex differences in hydrolase activity in rats and mice. Hydrolase activities for 24 compounds were evaluated in Fischer 344, Sprague-Dawley, and Wistar-Imamichi rat liver microsomes (RLM) and Balb/c, C3H/He, C57BL/6J, and ddY mouse liver microsomes (MLM) by comparing the results with the activities in human liver microsomes (HLM). Imidapril hydrolase activities in RLM from all strains were substantially higher than those in MLM and HLM, whereas oseltamivir was hardly hydrolyzed in rodents, although both are specific substrates of CES1 in humans. In rats, males tended to show higher hydrolase activities for most human CES1 substrates than females. Hydrolase activities for irinotecan and procaine, which are CES2 substrates in humans, tended to be higher in RLM and MLM than in HLM. Rifamycins, substrates of human AADAC, were not hydrolyzed in RLM and MLM. The results of this study provide important information about the species, strain, and sex differences in hydrolase activities in rats and mice.

European Journal of Pharmaceutical 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, Related Products of chlorides-buliding-blocks.

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

Honda, Shiori published the artcileHydrolase activities of cynomolgus monkey liver microsomes and recombinant CES1, CES2, and AADAC, COA of Formula: C12H15ClO3, the publication is European Journal of Pharmaceutical Sciences (2021), 105807, database is CAplus and MEDLINE.

The cynomolgus monkey is a nonhuman primate that is often used for pharmacokinetic and toxicokinetic studies of new chem. entities. Species differences in drug metabolism are obstacles for the extrapolation of animal data to humans. This study aimed to characterize hydrolase activities for typical compounds by cynomolgus monkey liver microsomes and recombinant monkey carboxylesterases (CES1 and CES2) and arylacetamide deacetylase (AADAC) compared with the activities in humans. To estimate the contribution of each hydrolase, the ratios of the expression level of each hydrolase in the liver microsomes and recombinant systems were used. For almost all of the tested human CES1 substrates, hydrolase activities in cynomolgus monkey liver microsomes tended to be lower than those in human liver microsomes, and recombinant cynomolgus monkey CES1 showed catalytic activity, but not for all substrates. For human CES2 substrates, hydrolase activities in cynomolgus monkey liver were higher than those in human liver microsomes, and recombinant monkey CES2 was responsible for their hydrolysis. Among human AADAC substrates, phenacetin was mainly hydrolyzed by monkey AADAC, whereas indiplon and ketoconazole were hydrolyzed by AADAC and other unknown enzymes. Flutamide was hydrolyzed by monkey CES2, not by AADAC. Rifamycins were hardly hydrolyzed in monkey liver microsomes. In conclusion, this study characterized the hydrolase activities of cynomolgus monkeys compared with those in humans. The findings would be helpful for pharmacokinetic or toxicokinetic studies of new chem. entities whose main metabolic pathway is hydrolysis.

European Journal of Pharmaceutical 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, COA of Formula: C12H15ClO3.

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

Honda, Shiori published the artcileDifferences in hydrolase activities in the liver and small intestine between marmosets and humans, Recommanded Product: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Drug Metabolism & Disposition (2021), 49(9), 718-728, database is CAplus and MEDLINE.

For drug development, species differences in drug-metabolism reactions present obstacles for predicting pharmacokinetics in humans. We characterized the species differences in hydrolases among humans and mice, rats, dogs, and cynomolgus monkeys. In this study, to expand the series of such studies, we attempted to characterize marmoset hydrolases. We measured hydrolase activities for 24 compounds using marmoset liver and intestinal microsomes, as well as recombinant marmoset carboxylesterase (CES) 1, CES2, and arylacetamide deacetylase (AADAC). The contributions of CES1, CES2, and AADAC to hydrolysis in marmoset liver microsomes were estimated by correcting the activities by using the ratios of hydrolase protein levels in the liver microsomes and those in recombinant systems. For six out of eight human CES1 substrates, the activities in marmoset liver microsomes were lower than those in human liver microsomes. For two human CES2 substrates and three out of seven human AADAC substrates, the activities in marmoset liver microsomes were higher than those in human liver microsomes. Notably, among the three rifamycins, only rifabutin was hydrolyzed by marmoset tissue microsomes and recombinant AADAC. The activities for all substrates in marmoset intestinal microsomes tended to be lower than those in liver microsomes, which suggests that the first-pass effects of the CES and AADAC substrates are due to hepatic hydrolysis. In most cases, the sums of the values of the contributions of CES1, CES2, and AADAC were below 100%, which indicated the involvement of other hydrolases in marmosets. In conclusion, we clarified the substrate preferences of hydrolases in marmosets.

Drug Metabolism & Disposition 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

Tobe, Yoshito published the artcilePhotochemical Method for Generation of Linear Polyynes: [2 + 2] Cycloreversion of [4.3.2]Propellatrienes Extruding Indan, Category: chlorides-buliding-blocks, the publication is Journal of Organic Chemistry (1994), 59(6), 1236-7, database is CAplus.

Photolysis of trienediynes I (R = Me₃Si, Me₃CSiMe₂) and trienetetrayne I [R = CCSi(CHMe₂)₃] having a [4.3.2]propellane framework yielded the resp. linear polyynes RCCCCCCR in good efficiency through [2 + 2] cycloreversion, extruding indan.

Journal of Organic Chemistry 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 C6H5BFNO4, Category: chlorides-buliding-blocks.

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

Tobe, Yoshito published the artcile[2 + 2] Cycloreversion of [4.3.2]Propella-1,3,11-trienes: An Approach to Cyclo[n]carbons from Propellane-Annelated Dehydro[n]annulenes, Application In Synthesis of 866-23-9, the publication is Journal of the American Chemical Society (2000), 122(8), 1762-1775, database is CAplus.

As a method to generate all-carbon mols. having highly reactive polyyne units from stable precursors, the [2 + 2] cycloreversion of [4.3.2]propella-1,3,11-triene derivatives was developed. To test the efficiency of this method, the reaction was first applied to simple diethynyl- and dibutadiynyl-substituted propellatrienes, which produced upon UV-irradiation linear hexatriyne and decapentayne derivatives, resp. Next, dehydro[12]-, [16]-, [18]-, [20]-, and [24]annulene derivatives annelated by the [4.3.2]propellatriene units were prepared as precursors to the corresponding cyclo[n]carbons, a monocyclic form of carbon clusters. Laser-desorption mass spectra of the dehydroannulenes exhibited, in the neg. mode, peaks due to the corresponding cyclo[n]carbon anions (n = 12, 16, 18, 20, and 24) formed by successive losses of aromatic indane fragments. Solution photolysis of the dehydro[16]annulene and dehydro[18]annulene derivatives formed reactive polyyne intermediates by [2 + 2] cycloreversion which were intercepted by furan to give the corresponding Diels-Alder adducts. The structures and spectroscopic properties of the dehydroannulenes annelated by the [4.3.2]propellatriene units, the precursors to cyclo[n]carbons, and those annelated by the oxanorbornadiene units, the products of the photolysis in furan, are discussed. Safety: mild explosions were reported with the furan trapping products.

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 C6H5BFNO4, Application In Synthesis of 866-23-9.

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

Kazui, Yuko published the artcileStructure-activity relationship of novel (benzoylaminophenoxy)phenol derivatives as anti-prostate cancer agents, HPLC of Formula: 350-30-1, the publication is Bioorganic & Medicinal Chemistry (2018), 26(18), 5118-5127, database is CAplus and MEDLINE.

The androgen receptor (AR) is a ligand-inducible transcription factor belonging to the nuclear receptor superfamily, and is a target mol. for development of drugs to treat prostate cancer. However, AR antagonists in clin. use, such as flutamide (3a) and bicalutamide (4), encounter resistance after several years of hormone therapy, predominantly due to mutations of AR. Thus, although some new-generation AR antagonists have been developed, novel types of AR antagonists are still required to treat drug-resistant prostate cancer. We previously reported a novel (benzoylaminophenoxy)phenol derivative 10a, which is structurally distinct from conventional AR antagonists. Here, we systematically examined the structure-activity relationship of (benzoylaminophenoxy)phenol derivatives on the inhibitory activity on the prostate cancer cell proliferations. We found that the 4-[4-(benzoylamino)phenoxy]phenol backbone is important for anti-prostate cancer activity. Introduction of a small substituent at the 2 position of the central benzene ring (B ring) increases the activity. Among the synthesized compounds, 19a and 19b exhibited the most potent inhibitory activity toward dihydrotestosterone-induced proliferation of several androgen-dependent cell lines, SC-3 (wild-type AR), LNCaP (T877A AR), and 22Rv1 (H874Y AR), but interestingly also inhibited proliferation of AR-independent PC-3 cells. These compounds, which have a different pharmacophore from conventional AR antagonists, are promising drug candidates for the treatment of prostate cancer.

Bioorganic & 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, HPLC of Formula: 350-30-1.

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

Gramstad, T. published the artcileHydrogen bonding. XIV. Hydrogen bonding of indole to phosphoryl compounds, HPLC of Formula: 866-23-9, the publication is Spectrochimica Acta (1965), 21(3), 503-9, database is CAplus.

cf. ibid. 343; CA 61, 8169h. The K_ass, ΔF, ΔH, ΔS, and ν_1/2 values were determined for the H bond association between indole and 15 organophosphorus compounds. The relation between H bonding ability and Δν_XH for various proton donors with organophosphorus compounds is discussed.

Spectrochimica Acta 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, HPLC of Formula: 866-23-9.

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

Cheng, Hua published the artcileSynthesis, biochemical evaluation and computational simulations of new cytochrome bc₁ complex inhibitors based on N-(4-aryloxyphenyl) phthalimides, Application of 3-Chloro-4-fluoronitrobenzene, the publication is Chinese Chemical Letters (2018), 29(12), 1897-1900, database is CAplus.

The cytochrome bc₁ complex (the bc₁ complex or complex III) is an attractive target for the discovery of numerous pharmaceuticals and pesticides. In order to identify new lead structures for this target, a new series of mols., N-(4-aryloxyphenyl)phthalimides, were designed and synthesized in a straightforward manner. Our design strategy was to introduce a 4-aryloxyphenyl group, a fragment which exhibited promising bc1 complex-inhibiting properties, into the aryl group of the valuable N-arylphthalimide backbone. Afterward, the biochem. evaluation of the newly synthesized compounds was carried out, and the results implied that several compounds demonstrated good activities against succinate-cytochrome reductase (SCR, a mixture of mitochondrial complex II and the bc₁ complex). Further studies confirmed that the compound I was identified as an inhibitor of the bc₁ complex. Furthermore, computational simulations were also performed to better understand binding of the compound I to the enzyme complex, which indicated that this compound should bind to the Q_o site of the bc₁ complex. Consequently, we harbor the idea that this paper can provide a solid platform for synthesis and discovery of other bc₁ complex inhibitors.

Chinese Chemical 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, Application of 3-Chloro-4-fluoronitrobenzene.

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