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5-Methyl-2-aminobenzenethiol is a chemical compound with the formula C7H9NS. It is a part of the class of organic molecules known as benzenethiols, which are benzenes substituted by one thiol group. 5-Methyl-2-aminobenzenethiol belongs to the subclasses of Aniline and its Derivatives. It appears as a light brown solid with an aromatic smell and is not a naturally occurring substance, typically made in a lab. Due to its potential hazards when improperly handled or used, care should be taken when working with this chemical.

23451-96-9

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23451-96-9 Usage

Uses

Used in Scientific Research:
5-Methyl-2-aminobenzenethiol is used as a reagent in biochemical reactions, contributing to the advancement of scientific knowledge and understanding of various biological processes.
Used in Chemical Industry:
5-Methyl-2-aminobenzenethiol is used in the production of various products such as dyes, pharmaceuticals, and polymers. Its physical characteristics and chemical reactivity can vary depending on factors like temperature and pressure, making it a versatile compound for different applications in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 23451-96-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,4,5 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 23451-96:
(7*2)+(6*3)+(5*4)+(4*5)+(3*1)+(2*9)+(1*6)=99
99 % 10 = 9
So 23451-96-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

23451-96-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-amino-5-methylbenzenethiol

1.2 Other means of identification

Product number -
Other names 2-azanyl-5-methyl-benzenethiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:23451-96-9 SDS

23451-96-9Relevant academic research and scientific papers

Discovery and Characterization of Benzimidazole Derivative XY123 as a Potent, Selective, and Orally Available RORγ Inverse Agonist

Wu, Xishan,Shen, Hui,Zhang, Yan,Wang, Chao,Li, Qiu,Zhang, Cheng,Zhuang, Xiaoxi,Li, Chenchang,Shi, Yudan,Xing, Yanli,Xiang, Qiuping,Xu, Jinxin,Wu, Donghai,Liu, Jinsong,Xu, Yong

supporting information, p. 8775 - 8797 (2021/06/30)

Receptor-related orphan receptor γ (RORγ) has emerged as an attractive therapeutic target for the treatment of cancer and inflammatory diseases. Herein, we report our effort on the discovery, optimization, and evaluation of benzothiazole and benzimidazole derivatives as novel inverse agonists of RORγ. The representative compound27h(designated as XY123) potently inhibited the RORγ transcription activity with a half-maximal inhibitory concentration (IC50) value of 64 nM and showed excellent selectivity against other nuclear receptors.27halso potently suppressed cell proliferation, colony formation, and the expression of androgen receptor (AR)-regulated genes in AR-positive prostate cancer cell lines. In addition,27hdemonstrated good metabolic stability and a pharmacokinetic property with reasonable oral bioavailability (32.41%) and moderate half-life (t1/2= 4.98 h). Significantly, oral administration of compound27hachieved complete and long-lasting tumor regression in the 22Rv1 xenograft tumor model in mice. Compound27hmay serve as a new valuable lead compound for further development of drugs for the treatment of prostate cancer.

Facile syntheses of 3-trifluoromethylthio substituted thioflavones and benzothiophenes via the radical cyclization

Wang, Lu,Wang, Huaiyu,Meng, Weidong,Xu, Xiu-Hua,Huang, Yangen

supporting information, p. 389 - 392 (2020/03/04)

3-CF3S substituted thioflavones and benzothiophenes were achieved via the reactions of AgSCF3 with methylthiolated alkynones and alkynylthioanisoles, respectively, promoted by persulfate. This protocol possesses good functional group tolerance and high yields. Mechanistic studies suggested that a classic two-step radical process was involved, which includes addition of CF3S radical to triple bond and cyclization with SMe moiety.

A Novel Difluoroacetic Acid Derivatives Compound, and Composition Comprising the Same

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Paragraph 0086; 0088; 0106-0109, (2020/04/23)

The present invention relates to a novel difluoroacetic acid derivative compound and a composition for various uses containing the same, wherein the difluoroacetic acid derivative compound can not only act as an agonist activating one among PPARandalpha;, andbeta; or andgamma;, but also can exhibit double efficacy or triple efficacy. Therefore, the difluoroacetic acid derivative compound can more effectively prevent, alleviate or treat metabolic diseases in which PPARs involves, and further exhibits whitening and wrinkle alleviation activity, and anti-inflammatory and antioxidant effects, thereby being able to be usefully utilized as various compositions.COPYRIGHT KIPO 2020

Convenient and efficient synthesis of novel 11: H -benzo[5,6][1,4]thiazino[3,4- a] isoindol-11-ones derived from 2-bromo-(2/3-substitutedphenyl)-1 H -indene-1,3(2 H)-diones

Mor, Satbir,Sindhu, Suchita

, p. 12784 - 12792 (2019/05/10)

An unprecedented formation of 11H-benzo[5,6][1,4]thiazino[3,4-a]isoindol-11-ones through a one-step reaction of differently substituted 2-aminobenzenethiols and 2-bromo-(2/3-substitutedphenyl)-1H-indene-1,3(2H)-diones in freshly dried ethanol under reflux conditions has been investigated. This unique transformation probably occurs through an initial nucleophilic substitution followed by ring opening and subsequent intramolecular cyclization. The structures of all the synthesized benzo[1,4]thiazino isoindolinones were established by FTIR, 1H NMR, 13C NMR, HRMS, and X-ray crystallographic analysis. This approach was found to be simple and convenient and provides several advantages such as substantial atom economy, short reaction time and operational simplicity.

Novel SIRT 1 activator and medical use thereof

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Paragraph 0151; 0195; 0198; 0204; 0205, (2018/11/27)

The present invention relates to a SIRT 1 activator and medical uses thereof. In the present invention, a novel SIRT 1 activator compound based on a benzo[d]thiazole skeleton, a crystalline form thereof, a hydrate thereof or a salt thereof is prepared, and effect on alleviating obesity, insulin resistance and dyslipidemia, alleviating fatty liver, preventing cell aging, preventing oxidative stress and extending of life of yeast. Therefore, the novel SIRT 1 activator compound having the above effects can be used for a pharmaceutical composition for therapeutic use for preventing or treating metabolic diseases including obesity, diabetes mellitus, dyslipidemia and the like and liver diseases including alcoholic or non-alcoholic fatty liver, fatty liver diseases and the like, and a health food composition for alleviating cell aging or prolonging the life span, and the like.COPYRIGHT KIPO 2018

Synthesis of Indane-Based 1,5-Benzothiazepines Derived from 3-Phenyl-2,3-dihydro-1H-inden-1-one and Antimicrobial Studies Thereof

Mor, Satbir,Nagoria, Savita,Sindhu, Suchita,Khatri, Mohini,Sidhu, Gurdeep,Singh, Virender

, p. 3282 - 3293 (2017/10/06)

In the present study, a series of 20 indane-based 1,5-benzothiazepines (5a–t) has been prepared derived from 3-phenyl-2,3-dihydro-1H-inden-1-one (1). All the synthesized 1,5-benzothiazepines (5a–t) were screened for their in vitro antimicrobial activities against four bacteria [Bacillus subtilis (MTCC 441), Staphylococcus epidermidis (MTCC 6880), Escherichia coli (MTCC 1652), and Pseudomonas aeruginosa (MTCC 424)] and two fungi [Candida albicans (MTCC 227) and Aspergillus niger (MTCC 8189)]. Among all the tested derivatives, 5n and 5o against E.?coli displayed more inhibitory activity than that of the reference drug, ciprofloxacin, while the derivatives 5c, 5m–o, 5s, and 5t against C.?albicans, and 5d, 5e, 5n, 5o, 5s, and 5t against A.?niger were found to be more potent than the standard drug, that is, fluconazole.

Natural Product-Mimetic Scaffolds with Privileged Heterocyclic Systems: Design, Synthesis, and Evaluation of Antioxidant Activity of Quinazoquinobenzothiazinones

Sharma, Kshitija,Khandelwal, Sarita,Samarth,Kumar, Mahendra

, p. 220 - 228 (2016/02/10)

(Chemical Equation Presented) Structurally diverse quinazolinoquinolinobenzothiazinones based on rutaecarpine structural framework with hybrid structural features of three medicinally privileged heterocyclic systems has been synthesized as natural product-mimetic scaffolds involving the use of multi-step reaction sequences. The synthesized quinazolinoquinolinobenzothiazinones have been evaluated for their antioxidant and radical scavenging activities.

Efficient and convenient synthesis, characterization, and antimicrobial evaluation of some new tetracyclic 1,4-benzothiazines

Mor, Satbir,Nagoria, Savita

supporting information, p. 169 - 178 (2016/02/23)

In the present study, 20 new tetracyclic 1,4-benzothiazines (4a-4 t) were conveniently synthesized in good yields and characterized by different spectral and physical techniques. The in vitro antimicrobial evaluation of the synthesized benzothiazine derivatives was performed by serial dilution against two Gram-positive bacteria [Bacillus subtilis (MTCC 441) and Staphylococcus epidermidis (MTCC 6880)], two Gram-negative bacteria [Escherichia coli (MTCC 1652) and Pseudomonas aeruginosa (MTCC 424)], and two fungal strains [Candida albicans (MTCC 227) and Aspergillus Niger (MTCC 8189)]. The derivatives 4 l and 4 t were found to be more potent than standard drug, i.e., fluconazole, against A. Niger and C. albicans, respectively.

COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY

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Paragraph 530; 531-532, (2017/01/31)

The present invention provides novel compounds of Formula (I) and Formula (II) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases, e.g., cancers (e.g., breast cancer, prostate cancer, lymphoma, lung cancer, pancreatic cancer, ovarian cancer, neuroblastoma, or colorectal cancer), benign neoplasms, angio genesis, inflammatory diseases, fibrosis (e.g., polycystic kidney disease), autoinflammatory diseases, and autoimmune diseases in a subject.

The flocculated acryloyldimethyltauric molecule ligand

-

Paragraph 0785; 0786, (2016/10/08)

Provided are certain benzothiazole, imidazothiazole, imidazopyrimidine and imidazopyridine compounds, including, for example: formula (I) and pharmaceutically and physiologically acceptable salts, hydrates, and solvates thereof. Such compounds can be used as diagnostic ligands or labels of tau protein and PHF.

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