Month: December 2022

Park, No Sang published the artcilePhenylacetamide derivatives as analgesic agents, Safety of 3-Chloro-4-hydroxyphenylacetic acid, the publication is Korean Journal of Medicinal Chemistry (1991), 1(1), 2-7, database is CAplus.

A new class of compounds was synthesized by transposition of the amide bond, introduction of substituents on the aryl portion, and modification of the alkyl portion of capsaicin, 4-HO-3-MeOC₆H₃CH₂NHCO(CH₂)₄CH:CHCHMe₂-(E). 3-Substituted 4-hydroxy and 4-(2-aminoethoxy)phenylacetamide derivatives, 4-RO-3-R¹C₆H₃CH₂CONHR² [R = H; R¹ = H, F, Cl, OH; R² = (E)-Me₂CHCH:CH(CH₂)₄, octyl, nonyl, decyl; R = CH₂CH₂NH₂; R¹ = H, F, Cl, OMe; R² = octyl, nonyl, decyl] to have high analgesic activity by the acetic acid-induced writhing test. These compounds were prepared through condensation of appropriate alkylamines with 4-hydroxyphenylacetic acids in the presence of mol. sieves in high efficiency and yields, and followed by 2-aminoethylation on phenolic hydroxy group which significantly improved activity by oral administration.

Korean Journal of Medicinal Chemistry 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, Safety of 3-Chloro-4-hydroxyphenylacetic acid.

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

Park, No Sang published the artcileN-Aralkylated 4-(2-aminoethoxy)phenylacetamide derivatives as potent analgesic and antiinflammatory agents., Safety of 3-Chloro-4-hydroxyphenylacetic acid, the publication is Korean Journal of Medicinal Chemistry (1991), 1(1), 36-43, database is CAplus.

A series of N-aralkylated 4-(2-aminoethoxy)phenylacetamide derivative 4-NH₂CH₂CH₂O-3-R¹C₆H₃CH₂CONH(CH₂)_nR² [R¹ = OMe, R² = Ph, n = 3, 4, 5; R¹ = H, F, Cl, OMe, R² = 3-MeC₆H₄, n = 3; R¹ = H, OMe, R² = 3-MeC₆H₄, n = 4; R¹ = H, F, Cl, OMe, R² = 4-MeC₆H₄, n = 3; etc.] were prepared for evaluation as analgesic and antiinflammatory agents. These compounds were prepared by condensation of appropriate aralkylamines with 4-hydroxyphenylacetic acid derivatives in the presence of mol. sieves followed by 2-aminoethylation on phenolic hydroxy group. Most of the new compounds exhibited very potent analgesic and antiinflammatory activities by acetic acid-induced writhing test, PBQ-induced writhing test, Randall-Selitto test and carrageenin edema test. The most interesting derivative of the series was N-[3-(3,4-dimethylphenyl)propyl]-4-(2-aminoethoxy)-3-methoxyphenylacetamide, 3,4-Me₂C₆H₃CH₂CH₂CH₂NHCOCH₂C₆H₃OMe-3-(OCH₂CH₂NH₂)-4, which showed very potent inhibition of writhing by oral administration in mice compared to those of reference compounds

Korean Journal of Medicinal Chemistry 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, Safety of 3-Chloro-4-hydroxyphenylacetic acid.

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

Kollapudi, Chandra Babu published the artcileGreen methodologies in organic synthesis: microwave-assisted study on carbostyril derivatives under phase transfer catalysis, Name: N-Benzyl-N,N-dibutylbutan-1-aminium chloride, the publication is Heterocyclic Letters (2015), 5(2), 213-221, database is CAplus.

In this paper few carbostyril derivatives were synthesized by microwave method as well as by green chem. method. By applying the green synthesis method, not only avoided the use of DDQ and benzyl halide which is hazardous but also the formation of by products. The quaternary ammonium salts (PTC) under microwave conditions towards Aripiprazole (carbostyril derivative) act as a reagent and gave dehydrogenated and benzylated carbostyril from 3,4-dihydro carbostyril derivatives

Heterocyclic Letters 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, Name: N-Benzyl-N,N-dibutylbutan-1-aminium chloride.

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

Singh, Kunwar P. published the artcileMultispecies QSAR Modeling for Predicting the Aquatic Toxicity of Diverse Organic Chemicals for Regulatory Toxicology, Quality Control of 350-30-1, the publication is Chemical Research in Toxicology (2014), 27(5), 741-753, database is CAplus and MEDLINE.

The research aims to develop multispecies quant. structure-activity relationships (QSARs) modeling tools capable of predicting the acute toxicity of diverse chems. in various Organization for Economic Co-operation and Development (OECD) recommended test species of different trophic levels for regulatory toxicol. Accordingly, the ensemble learning (EL) approach based classification and regression QSAR models, such as decision treeboost (DTB) and decision tree forest (DTF) implementing stochastic gradient boosting and bagging algorithms were developed using the algae (P. subcapitata) exptl. toxicity data for chems. The EL-QSAR models were successfully applied to predict toxicities of wide groups of chems. in other test species including algae (S. obliguue), daphnia, fish, and bacteria. Structural diversity of the selected chems. and those of the end-point toxicity data of five different test species were tested using the Tanimoto similarity index and Kruskal-Wallis (K-W) statistics. Predictive and generalization abilities of the constructed QSAR models were compared using statistical parameters. The developed QSAR models (DTB and DTF) yielded a considerably high classification accuracy in complete data of model building (algae) species (97.82%, 99.01%) and ranged between 92.50%-94.26% and 92.14%-94.12% in four test species, resp., whereas regression QSAR models (DTB and DTF) rendered high correlation (R²) between the measured and model predicted toxicity end-point values and low mean-squared error in model building (algae) species (0.918, 0.15; 0.905, 0.21) and ranged between 0.575 and 0.672, 0.18-0.51 and 0.605-0.689 and 0.20-0.45 in four different test species. The developed QSAR models exhibited good predictive and generalization abilities in different test species of varied trophic levels and can be used for predicting the toxicities of new chems. for screening and prioritization of chems. for regulation.

Chemical Research in Toxicology 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 0, Quality Control of 350-30-1.

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

Kumar, Atul published the artcileDesign and synthesis of new bioisosteres of spirooxindoles (MI-63/219) as anti-breast cancer agents, Quality Control of 4584-49-0, the publication is Bioorganic & Medicinal Chemistry (2015), 23(4), 839-848, database is CAplus and MEDLINE.

The authors report herein the design and synthesis of bioisosteres of spirooxindole (MI-63/219), a small-mol. inhibitors of the MDM2-p53 interaction as antibreast cancer agents. Compound I has been exhibiting significant antiproliferative activity in nude mice bearing MCF-7 xenograft tumor. The compound I was found to act via modulation of MDM2 and p53 expression in breast cancer cells expressing wild type p53. Compound I stimulated p53 activation, caused modulation of downstream effectors p21, pRb, and cyclin D1 which regulate cell cycle. Thus, compound triggered G1-S phase cell cycle arrest, which was evident by flow cytometric anal. of treated breast cancer cells. Thus, compound I restores the p53 function, which triggers mol. events consistent with cell cycle arrest at G1/S phase.

Bioorganic & Medicinal Chemistry published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Quality Control of 4584-49-0.

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

Zhao, Liren published the artcile5-Aryluracils as potent GnRH antagonists – Characterization of atropisomers, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2008), 18(11), 3344-3349, database is CAplus and MEDLINE.

Optimization of a series of uracils bearing a 2-fluoro- or 2-chloro-3-methoxyphenyl group at the 5-position resulted in compounds such as I (R = Me, X = CF₃, Y = F, Cl) with subnanomolar binding affinity at the human GnRH receptor. While the 2-fluoro-3-methoxyphenyl compound I (R = X = Y = Me) was characterized as a mixture of interchangeable atropisomers, the diastereoisomers of 2-chloro-3-methoxyphenyl analogs were separated It was found that the aR-atropisomer was much more potent than the aS-isomer based on the X-ray crystal structure of I (R = CH₂OH, X = CF₃, Y = Cl).

Bioorganic & Medicinal Chemistry Letters published new progress about 854778-30-6. 854778-30-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (2-Chloro-3-methoxyphenyl)boronic acid, and the molecular formula is C14H31NO2, Related Products of chlorides-buliding-blocks.

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

Pontillo, Joseph published the artcileSynthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor, Computed Properties of 854778-30-6, the publication is Bioorganic & Medicinal Chemistry Letters (2005), 15(19), 4363-4366, database is CAplus and MEDLINE.

Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds One compound was identified as potent gonadotropin-releasing hormone receptor antagonist from this series.

Bioorganic & Medicinal Chemistry Letters published new progress about 854778-30-6. 854778-30-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (2-Chloro-3-methoxyphenyl)boronic acid, and the molecular formula is C7H8BClO3, Computed Properties of 854778-30-6.

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

Gross, Raymond S. published the artcileDesign and Synthesis of Tricyclic Corticotropin-Releasing Factor-1 Antagonists, SDS of cas: 765917-27-9, the publication is Journal of Medicinal Chemistry (2005), 48(18), 5780-5793, database is CAplus and MEDLINE.

Antagonists of the corticotropin-releasing factor (CRF) neuropeptide should prove to be effective in treating stress and anxiety-related disorders. In an effort to identify antagonists with improved physicochem. properties, new tricyclic CRF₁ antagonists were designed, synthesized, and tested for biol. activity. As a result of studies aimed at establishing a relationship between structure and CRF₁ binding affinity, NBI 35965 [i.e., (7S)-6-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-7-ethyl-7,8-dihydro-4-methyl-6H-1,3,6,8a-tetraazaacenaphthylene (I)] was identified as a high-affinity antagonist with a pK_i value of 8.5. I proved to be a functional CRF₁ antagonist with pIC₅₀ values of 7.1 and 6.9 in the in vitro CRF-stimulated cAMP accumulation and ACTH production assays, resp., and I also reduced CRF or stress induced ACTH production in vivo.

Journal of Medicinal Chemistry published new progress about 765917-27-9. 765917-27-9 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Boronic acid and ester,Benzene,Boronate Esters, name is 2-(4-Chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C12H15BClFO2, SDS of cas: 765917-27-9.

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

Gross, Raymond S. published the artcileDesign and Synthesis of Tricyclic Corticotropin-Releasing Factor-1 Antagonists, HPLC of Formula: 209919-30-2, the publication is Journal of Medicinal Chemistry (2005), 48(18), 5780-5793, database is CAplus and MEDLINE.

Antagonists of the corticotropin-releasing factor (CRF) neuropeptide should prove to be effective in treating stress and anxiety-related disorders. In an effort to identify antagonists with improved physicochem. properties, new tricyclic CRF₁ antagonists were designed, synthesized, and tested for biol. activity. As a result of studies aimed at establishing a relationship between structure and CRF₁ binding affinity, NBI 35965 [i.e., (7S)-6-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-7-ethyl-7,8-dihydro-4-methyl-6H-1,3,6,8a-tetraazaacenaphthylene (I)] was identified as a high-affinity antagonist with a pK_i value of 8.5. I proved to be a functional CRF₁ antagonist with pIC₅₀ values of 7.1 and 6.9 in the in vitro CRF-stimulated cAMP accumulation and ACTH production assays, resp., and I also reduced CRF or stress induced ACTH production in vivo.

Journal of Medicinal Chemistry published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, HPLC of Formula: 209919-30-2.

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

Gross, Raymond S. published the artcileDesign and Synthesis of Tricyclic Corticotropin-Releasing Factor-1 Antagonists, Computed Properties of 145349-62-8, the publication is Journal of Medicinal Chemistry (2005), 48(18), 5780-5793, database is CAplus and MEDLINE.

Antagonists of the corticotropin-releasing factor (CRF) neuropeptide should prove to be effective in treating stress and anxiety-related disorders. In an effort to identify antagonists with improved physicochem. properties, new tricyclic CRF₁ antagonists were designed, synthesized, and tested for biol. activity. As a result of studies aimed at establishing a relationship between structure and CRF₁ binding affinity, NBI 35965 [i.e., (7S)-6-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-7-ethyl-7,8-dihydro-4-methyl-6H-1,3,6,8a-tetraazaacenaphthylene (I)] was identified as a high-affinity antagonist with a pK_i value of 8.5. I proved to be a functional CRF₁ antagonist with pIC₅₀ values of 7.1 and 6.9 in the in vitro CRF-stimulated cAMP accumulation and ACTH production assays, resp., and I also reduced CRF or stress induced ACTH production in vivo.

Journal of Medicinal Chemistry published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Computed Properties of 145349-62-8.

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