Day: October 13, 2021

In 2019 J MED CHEM published article about ANTI-AIDS AGENTS; DITERPENOIDS; REPLICATION; ELIMINATION in [Liu, Qingbo; Li, Wei; Asada, Yoshihisa; Koike, Kazuo] Toho Univ, Fac Pharmaceut Sci, Miyama 2-2-1, Funabashi, Chiba 2748510, Japan; [Liu, Qingbo] Shenyang Pharmaceut Univ, Minist Educ, Key Lab Struct Based Drug Design & Discovery, Shenyang 110016, Liaoning, Peoples R China; [Cheng, Yung-Yi; Hsieh, Min-Tsang; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung] Univ N Carolina, UNC Eshelman Sch Pharm, Nat Prod Res Labs, Chapel Hill, NC 27599 USA; [Cheng, Yung-Yi; Hsieh, Min-Tsang; Lee, Kuo-Hsiung] China Med Univ & Hosp, Chinese Med Res & Dev Ctr, Taichung 40402, Taiwan; [Huang, Li; Chen, Chin-Ho] Duke Univ, Med Ctr, Dept Surg, Surg Sci, Durham, NC 27710 USA in 2019, Cited 21. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0. Name: Benzoic anhydride

Currently, due to the HIV latency mechanism, the search continues for effective drugs to combat this issue and provide a cure for AIDS. Gnidimacrin activates latent HIV-1 replication and inhibits HIV-1 infection at picomolar concentrations. This natural diterpene was able to markedly reduce the latent HIV-1 DNA level and the frequency of latently infected cells. Therefore, gnidimacrin is an excellent lead compound, and its anti-HIV potential merits further investigation. Twenty-nine modified gnidimacrin derivatives were synthesized and evaluated in assays for HIV replication and latency activation to establish which molecular structures must be maintained and which can tolerate changes that may be needed for better pharmacological properties. The results indicated that hydroxyl substituents at C-5 and C-20 are essential, while derivatives modified at 3-OH with aromatic esters retain anti-HIV replication and latent activation activities. The half-lives of the potent GM derivatives are over 20 h, which implies that they are stable in the plasm even though they contain ester linkages. The established structure activity relationship should be useful in the development of gnidimacrin or structurally related compounds as clinical trial candidates.

About Benzoic anhydride, If you have any questions, you can contact Liu, QB; Cheng, YY; Li, W; Huang, L; Asada, Y; Hsieh, MT; Morris-Natschke, SL; Chen, CH; Koike, K; Lee, KH or concate me.. Name: Benzoic anhydride

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Safety of 3-Methylbenzoic acid. Zheng, XJ; Li, CS; Cui, MY; Song, ZW; Bai, XQ; Liang, CW; Wang, HY; Zhang, TY in [Zheng, Xian-Jing; Song, Ze-Wen; Bai, Xue-Qian; Liang, Cheng-Wu; Wang, Hui-Yan; Zhang, Tian-Yi] Jilin Med Univ, Jilin 132013, Jilin, Peoples R China; [Li, Chun-Shi; Cui, Ming-Yue] Third Peoples Hosp Dalian, Dalian 116000, Liaoning, Peoples R China; [Zheng, Xian-Jing; Song, Ze-Wen] Yanbian Univ, Dept Pharm, Yanji 133002, Jilin, Peoples R China published Synthesis, biological evaluation of benzothiazole derivatives bearing a 1,3,4-oxadiazole moiety as potential anti-oxidant and anti-inflammatory agents in 2020, Cited 26. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Twenty benzothiazole derivatives bearing a 1,3,4-oxadiazole moiety were synthesized and evaluated for their anti-oxidant and anti-inflammatory activities. Among these compounds, 8h and 81 were appeared to have high radical scavenging efficacies as 0.05 +/- 0.02 and 0.07 +/- 0.03 mmol/L of IC50, values in ABTS(+center dot) bioassay, respectively. In anti-inflammatory tests, compound 8h displayed good activity with 57.35% inhibition after intraperitoneal administration, which was more potent than the reference drug (indomethacin). Molecular modeling studies were performed to investigate the binding mode of the representative compound 8h into COX-2 enzyme. In vitro enzyme study implied that compound 8h exerted its anti-inflammatory activity through COX-2 inhibition.

About 3-Methylbenzoic acid, If you have any questions, you can contact Zheng, XJ; Li, CS; Cui, MY; Song, ZW; Bai, XQ; Liang, CW; Wang, HY; Zhang, TY or concate me.. Safety of 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

HPLC of Formula: C8H10O2. Wang, YL; Liu, Y; He, JH; Zhang, YT in [Wang, Yinling; Liu, Yue; He, Jianghua; Zhang, Yuetao] Jilin Univ, Coll Chem, State Key Lab Supramol Struct & Mat, Changchun 130012, Jilin, Peoples R China published Redox-neutral photocatalytic strategy for selective C-C bond cleavage of lignin and lignin models via PCET process in 2019, Cited 62. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

It remains challenging to achieve the selective cleavage of C-C bonds in lignin or lignin model compounds to produce aromatic products in high yield and selectivity. We have developed a redox-neutral photocatalytic strategy to accomplish this goal in both beta-O-4 and beta-1 lignin models at room temperature (RT) via proton-coupled electron transfer (PCET) process without any pretreatments of substrate, by adjusting the alkalinity of base to obtain a lignin models/base PCET pair with a bond dissociation free energy close to 102 kcal/mol. Without breaking down C-beta-C-gamma bond and any C-O bonds, this PCET method is 100% atom economy and produces exclusive C-alpha-C-beta bond cleavage products, such as benzaldehydes (up to 97%) and phenyl ethers (up to 96%), in high to excellent yields and selectivities. Preliminary studies indicated that the PCET strategy is also effective for the depolymerization of native lignin at RT, thus providing significantly important foundation to the depolymerization of lignin. (C) 2019 Science China Press. Published by Elsevier B.V. and Science China Press. All rights reserved.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Wang, YL; Liu, Y; He, JH; Zhang, YT or concate me.. HPLC of Formula: C8H10O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Product Details of 99-04-7. Mandal, A; Garai, B; Dana, S; Bera, R; Baidya, M in [Mandal, Anup; Garai, Bholanath; Dana, Suman; Bera, Ratnadeep; Baidya, Mahiuddin] Indian Inst Technol Madras, Dept Chem, Chennai 600036, Tamil Nadu, India published Cross-Dehydrogenative Coupling/Annulation of Arene Carboxylic Acids and Alkenes in Water with Ruthenium(II) Catalyst and Air in 2020.0, Cited 72.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

A cross-dehydrogenative coupling of arene carboxylic acids with olefins is reported with ruthenium(II) catalyst employing air and water as green oxidant and solvent, respectively. It offers a robust synthesis of valuable phthalide molecules. A one-pot sequential strategy is also disclosed to access Heck-type products that are apparently difficult to make directly from arene carboxylic acids.

About 3-Methylbenzoic acid, If you have any questions, you can contact Mandal, A; Garai, B; Dana, S; Bera, R; Baidya, M or concate me.. Product Details of 99-04-7

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article An Atom-Economic Efficient Synthesis of 1-Amidoalkyl-2-Naphthols Mediated By Hexachlorocyclotriphosphazene (HCCP) as a Novel Catalyst WOS:000483301600008 published article about ONE-POT PREPARATION; REUSABLE CATALYST; RECYCLABLE NANOCATALYST; CHEMISTRY; ACID in [Singh, Rajesh K.; Chaudhary, Shallu; Prasad, D. N.] Shivalik Coll Pharm, Dept Pharmaceut Chem, Nangal 140126, Punjab, India; [Kumar, Sahil] GD Goenka Univ, Sch Med & Allied Sci, Dept Pharm, Sohna 122103, Haryana, India in 2019.0, Cited 25.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Computed Properties of C9H10O3

A multicomponent one-pot atom-economic reaction is performed for an efficient synthesis of 1-amidoalkyl-2-naphthol from aromatic aldehydes, beta-naphthol and amide/urea promoted by hexachlorocyclotriphosphazene (HCCP). Various techniques such as stirring, microwave irradiation and thermal technique (hot plate and oil bath) were used in different solvents for the synthesis of 1-amidoalkyl-2-naphthol derivatives with moderate to excellent yield. Among the four methods, microwave irradiation and oil bath heating provide high yield as compared to the hot plate heating and stirring method. The low yield may be due to the formation of undesired side-products due to non-uniform heating.

Computed Properties of C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Singh, RK; Chaudhary, S; Prasad, DN; Kumar, S or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recently I am researching about CORRELATED MOLECULAR CALCULATIONS; INDEPENDENT CHEMICAL-SHIFTS; PI-ELECTRON DELOCALIZATION; GAUSSIAN-BASIS SETS; THEORETICAL CALCULATION; IONIZATION-POTENTIALS; OVERTONE SPECTROSCOPY; QUANTITATIVE CONCEPT; AB-INITIO; RESONANCE, Saw an article supported by the SERB from the Department of Science and Technology (DST) Government of India, New Delhi [EMR/2016/001090]; UGC, Government of IndiaUniversity Grants Commission, India; DST, Government of IndiaDepartment of Science & Technology (India); U.S. National Science FoundationNational Science Foundation (NSF) [CHE-1661604]; IITK. Published in AMER INST PHYSICS in MELVILLE ,Authors: Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Formula: C8H8O2

Benzene and 23 monosubstituted and 32 disubstituted derivatives of benzene were optimized for minimum energy structures using the B3LYP/cc-pVTZ method. The force fields of all the compounds were evaluated at their optimized geometries using the same method and basis set. In order to understand the effect of substitution(s) on the aromaticity of benzene, the aromaticity index based on interaction coordinates (AIBIC) values were computed for each and the change from the benzene value was obtained. This difference, the substituent effect based on interaction coordinates (SEBIC), quantifies the effect of the substituent on the aromaticity of benzene ring satisfactorily. It is found that the AIBIC of disubstituted benzenes (XC6H4Y) could be predicted well by adding the respective SEBIC(C6H5X) and SEBIC(C6H5Y) values to the AIBIC of benzene. The projected force fields of the meta and para fragments of the monosubstituted benzenes when chosen properly contain the information about the directing influence of the substituent in terms of the electron density based on interaction coordinates (EDBIC). When the EDBIC(para) > EDBIC(meta) relative to benzene, the substituent is ortho-para directing, while when the reverse is true, it is meta directing. The effect of conformational changes on aromaticity has been studied using aminophenols and dihydroxybenzenes. The additivity rule and the EDBIC concept work adequately well in that the methods can have several useful practical applications that will benefit various areas of science. A good understanding of the substituent effects and the ability to predict them should add a new dimension to the applications of AIBIC.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Authors Hu, XQ; Hou, YX; Liu, ZK; Gao, Y in ROYAL SOC CHEMISTRY published article about in [Hu, Xiao-Qiang; Hou, Ye-Xing; Liu, Zi-Kui] South Cent Univ Nationalities, Sch Chem & Mat Sci, Minist Educ, Key Lab Catalysis & Energy Mat Chem, Wuhan 430074, Peoples R China; [Hu, Xiao-Qiang; Hou, Ye-Xing; Liu, Zi-Kui] South Cent Univ Nationalities, Sch Chem & Mat Sci, Hubei Key Lab Catalysis & Mat Sci, Wuhan 430074, Peoples R China; [Gao, Yang] Guangdong Univ Technol, Sch Chem Engn & Light Ind, Guangzhou 510006, Peoples R China in 2021, Cited 81. Computed Properties of C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A facile ruthenium-catalysed C-H/C-N bond activation and the subsequent annulation of readily available benzoic acids with in situ generated formaldimines are reported. The choice of solvent and base is critical for this reaction. This protocol allows the efficient synthesis of a wide range of biologically important isoindolinones in useful to excellent yields without the use of any external oxidants. The late-stage modification of bioactive acids such as adapalene, bexarotene and flufenamic acid demonstrated the synthetic utility of this methodology.

About 3-Methylbenzoic acid, If you have any questions, you can contact Hu, XQ; Hou, YX; Liu, ZK; Gao, Y or concate me.. Computed Properties of C8H8O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recently I am researching about ACETYLSALICYLIC-ACID; ABSORPTION-SPECTROMETRY; PROTEIN-BINDING; MOLECULAR ABSORPTION; METAL-COMPLEXES; CHEMISTRY; EFFICACY; IMPACT; DRUGS; CELLS, Saw an article supported by the Tiroler Wissenschaftsfonds (TWF) [GZ: UNI-0404/1982]. Application In Synthesis of 2,6-Difluorobenzoic acid. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Baecker, D; Obermoser, V; Kirchner, EA; Hupfauf, A; Kircher, B; Gust, R. The CAS is 385-00-2. Through research, I have a further understanding and discovery of 2,6-Difluorobenzoic acid

The cobalt alkyne complex [(prop-2-ynyl)-2-acetoxybenzoate]dicobalthexacarbonyl (Co-ASS) is an auspicious lead, which exhibits its anticancer activity mainly by inhibition of both cyclooxygenases (COX-1 and COX-2). Since COX-2 participates in carcinogenesis, a selective inhibition of that isoenzyme is aimed. To study if fluorination increases the COX-2/COX-1 inhibition ratio of the lead, substitution was respectively performed in the positions 3, 4, 5, and 6 of the aromatic moiety. The complexes 3/4/5F-Co-ASS and to a much lower extent also 6F-Co-ASS showed cytotoxic, antimetabolic, and apoptotic effects in COX-1/2-positive HT-29 and MDA-MB-231 cells and remarkably less activity in the COX-1/2-negative MCF-7 cell line. The metabolic activity in MCF-7 cells was even unaffected up to a concentration of 40 mu M. With exception of 6F-Co-ASS, the complexes strongly reduced the PGE(2) synthesis in HT-29 cells and all complexes inhibited COX-2 more effectively than COX-1 in an assay at isolated enzymes. These findings point to an interference in the COX cascade as part of the mode of antitumor action. The limited cellular effects of 6F-Co-ASS are related to its poor uptake as determined by HR CS AAS/MAS. Moreover, the cellular uptake studies confirm fluorination as beneficial tool for bioanalytical labeling. The higher quantification of fluorine by HR CS MAS makes this method about 5-fold more sensitive than HR CS AAS measuring cobalt. As a further positive result, 3/4/5/6-Co-ASS demonstrated high selectivity to tumor cells due to lack of antimetabolic activity against the non-tumorigenic bone marrow stromal cell line HS-5.

Application In Synthesis of 2,6-Difluorobenzoic acid. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Baecker, D; Obermoser, V; Kirchner, EA; Hupfauf, A; Kircher, B; Gust, R or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article Functionalized Allyl Aryl Ether Synthesis from Benzoic Acids Using a Dearomatization and Decarboxylative Allylation Approach WOS:000456632800018 published article about RADICAL CYCLIZATION; RAPID ACCESS; ETHERIFICATION; REARRANGEMENT; CONSTITUENTS; DERIVATIVES; GENERATION; PHENOL in [Hsieh, Cheng-En; Jiang, Yu-Min; Chou, Chih-Ming] Natl Univ Kaohsiung, Dept Appl Chem, 700 Kaohsiung Univ Rd, Kaohsiung 81148, Taiwan in 2019.0, Cited 55.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Product Details of 99-04-7

A strategy toward the preparation of substituted allyl aryl ethers from benzoic acids via a dearomatization and decarboxylative allylation (DcA) reaction is presented. The benzoic acids undergo a dearomatization to give alkylated 2,5-cyclohexadienyl ketoesters which are subjected to a palladium-catalyzed DcA reaction, providing a variety of functionalized allyl aryl ethers. In addition, the combination of a resonance stabilized DcA reaction with a Claisen rearrangement for the synthesis of multisubstituted phenols and applying to dihydroplicatin B derivative synthesis is also presented.

About 3-Methylbenzoic acid, If you have any questions, you can contact Hsieh, CE; Jiang, YM; Chou, CM or concate me.. Product Details of 99-04-7

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

COA of Formula: C8H10O2. Authors Ojah, EO; Moronkola, DO; Ajiboye, CO; Yusuf, TL; Adeniyi-Akee, MA in TAYLOR & FRANCIS LTD published article about in [Ojah, Emmanuel Onah; Moronkola, Dorcas Olufunke; Ajiboye, Clement Odunayo] Univ Ibadan, Dept Chem, Ibadan, Nigeria; [Ojah, Emmanuel Onah] Mt Top Univ, Dept Chem Sci, Coll Basic & Appl Sci, Makogi Oba, Ogun State, Nigeria; [Yusuf, Tunde Lewis] Univ KwaZulu Natal, Sch Chem & Phys, Private Bag X54001,Westville Campus, ZA-4000 Durban, South Africa; [Adeniyi-Akee, Mukaram Akintunde] Igbined Univ, Dept Pharmaceut Chem, Coll Pharm, Okada, Edo State, Nigeria in 2021, Cited 47. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

The chemical composition of essential oils (EOs) isolated by hydrodistillation from Pterocarpus soyauxii Taub. root wood and root bark were determined for the first time by GC/MS analysis. The EOs gave a percentage yield (w/w) of 0.34 % and 0.31 % for root wood and root bark respectively. A total of 60 compounds accounting for 86.1 % of the root wood EO composition were identified with monoterpenes (45.4 %) and sesquiterpenes (14.7 %) as predominant constituents. Root bark EO gave 53 identified constituents which make up about 78.5 % of the EO dominated by non-terpenes (23.4 %) and alkanes (14.1 %). The EOs are good sources of limonene (16.9 %), gamma-terpinene (9.8 %) and p-cymene (6.70 %). The anti-diabetic (alpha-amylase and alpha-glucosidase models) and antioxidant activities (DPPH and H2O2 models) of EOs were evaluated in comparison with standard drugs. Alpha-amylase inhibition gave IC50 values (mg/mL) of 0.0493 and 0.0471 for root wood and root bark EOs respectively, compared to acarbose the standard anti-diabetic drug (0.0401) while alpha-glucosidase assay gave IC50 values (mg/mL) of 0.0517 and 0.0486 for root wood and root bark EOs respectively, compared with acarbose (0.0418). In the DPPH antioxidant assay, root bark EO showed higher activity (0.157 mg/mL) compared to root wood EO (0.159 mg/mL) while Root wood and root bark EOs had IC(50 )values (mg/mL) of 0.157 and 0.171 respectively using the H2O2 model. Results revealed the presence of chemical constituents in the EOs which could be responsible for activities expressed by the plant.

COA of Formula: C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Ojah, EO; Moronkola, DO; Ajiboye, CO; Yusuf, TL; Adeniyi-Akee, MA or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com