23451-96-9

Basic information

• Product Name: 5-Methyl-2-aminobenzenethiol
• Synonyms: 2-Amino-5-methylbenzenethiol;2-Mercapto-4-methylbenzenamine;5-Methyl-2-aminobenzenethiol;2-Aminobenzothiol;1-benzothiophen-2-aMine;2-amino-5-methylbenzene-1-thiol;2-AMINO-5-METHYLBENZENETHIOL(WXG01484)
• CAS NO: 23451-96-9
• Molecular Formula: C₇H₉NS
• Molecular Weight: 139.22
• Mol File: 23451-96-9.mol
• Article Data: 30

Chemical Properties

• Melting Point: 85.8-87.3 °C
• Boiling Point: 253.6 °C at 760 mmHg
• Flash Point: 107.2 °C
• Appearance: /
• Density: 1.154 g/cm³
• Vapor Pressure: 0.0181mmHg at 25°C
• Refractive Index: 1.64
• PKA: 8.84±0.10(Predicted)
• CAS DataBase Reference: 5-Methyl-2-aminobenzenethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-2-aminobenzenethiol(23451-96-9)
• EPA Substance Registry System: 5-Methyl-2-aminobenzenethiol(23451-96-9)

Safety Data

• Hazardous Substances Data: 23451-96-9(Hazardous Substances Data)

Usage

General Description

5-Methyl-2-aminobenzenethiol is a chemical compound with the formula C7H9NS. 5-Methyl-2-aminobenzenethiol is a part of the class of organic molecules known as benzenethiols which are benzenes substituted by one thiol group. It belongs to the subclasses of Aniline and its Derivatives. It appears as a light brown solid with an aromatic smell. It is used in scientific research, often as a reagent in biochemical reactions. It’s also used in the production of various products such as dyes, pharmaceuticals, and polymers in the chemical industry. Its physical characteristics and chemical reactivity can vary depending on factors like temperature and pressure. It's not a naturally occurring substance and is typically made in a lab. It can be hazardous if improperly handled or used, so care should be taken when working with this chemical.

InChI:InChI=1/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

Upstream product

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Downstream Products

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Relevant articles and documents

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

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.

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

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

Novel SIRT 1 activator and medical use thereof

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