64375-41-3

Basic information

• Product Name: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER
• Synonyms: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER;2,3-Dihydro-2-thioxo-1H-benzimidazole-5-carboxylic acid methyl ester;methyl 2-thioxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate;2-Mercapto-1H-benzoimidazole-5-carboxylic acid methyl ester;2-Thioxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid methyl ester
• CAS NO: 64375-41-3
• Molecular Formula: C₉H₈N₂O₂S
• Molecular Weight: 208.23702
• Mol File: 64375-41-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 398.86°C at 760 mmHg
• Flash Point: 195.024°C
• Appearance: /
• Density: 1.43g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.705
• PKA: 9.89±0.30(Predicted)
• CAS DataBase Reference: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER(64375-41-3)
• EPA Substance Registry System: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER(64375-41-3)

Safety Data

• Hazardous Substances Data: 64375-41-3(Hazardous Substances Data)

Usage

General Description

1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-2-thioxo, methyl ester is a chemical compound that belongs to the class of benzimidazole derivatives. It is a methyl ester derivative of benzimidazole-5-carboxylic acid, and is characterized by the presence of a thioxo group and a cyclic structure. 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER has potential applications in the fields of pharmaceuticals and material chemistry due to its unique structure and properties. It may have biological activities and could be used as a building block in the synthesis of various organic compounds. However, further research and testing are required to fully understand its potential uses and effects.

InChI:InChI=1/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)11-9(14)10-6/h2-4H,1H3,(H2,10,11,14)

Upstream product

• 75-15-0 carbon disulfide 
• 36692-49-6 Methyl 3,4-diaminobenzoate 
• 6313-39-9 4-acetamido-3-nitro-benzoic acid methyl ester 
• 84445-93-2 methyl 4-(acetylamino)-3-aminobenzoate 

Downstream Products

• 92807-01-7 5-hydroxymethyl-2-mercaptobenzoimidazole 
• 213685-19-9 6-(5-methoxycarbonylbenzimidazol-2-ylthio)-N-(2,6-diisopropylphenyl)hexanamide 
• 26663-77-4 methyl 1H-benzo[d]imidazole-5-carboxylate 

Relevant articles and documents

Substituted benzimidazole PI3K[alpha]/mTOR double-target inhibitor as well as pharmaceutical composition and application thereof

The invention discloses a substituted benzimidazole PI3K[alpha]/mTOR double kinase inhibitor as well as a pharmaceutical composition and application thereof. The substituted benzimidazole PI3K[alpha]/mTOR double kinase inhibitor comprises a compound shown in a general formula (I) or a stereoisomer, a geometrical isomer, a hydrate, a solvate, a pharmaceutically acceptable salt or a prodrug thereof,the substituted benzimidazole PI3K[alpha]/mTOR double kinase inhibitor and the pharmaceutical composition thereof provided by the invention can be used for inhibiting PI3K[alpha]/mTOR double kinase and acting on proliferative diseases related to the PI3K[alpha]/mTOR double kinase; and an inhibitor with a novel structure is provided for treating proliferative diseases with PI3K[alpha]/mTOR doublekinase.

Anticancer activity of hydrogen-bond-stabilized half-sandwich Ru II complexes with heterocycles

Neutral half-sandwich organometallic ruthenium(II) complexes of the type [(n6-cymene)RuCl2(L)] (H1-H10), where L represents a heterocyclic ligand, have been synthesized and characterized spectroscopically. The structures of five complexes were also established by single-crystal X-ray diffraction confirming a piano-stool geometry with n6 coordination of the arene ligand. Hydrogen bonding between the N-H group of the heterocycle and a chlorine atom attached to Ru stabilizes the metal-ligand interaction. Complexes coordinated to a mercaptobenzothiazole framework (H1) or mercaptobenzoxazole (H6) showed high cytotoxicity against several cancer cells but not against normal cells. In vitro studies have shown that the inhibition of cancer cell growth involves primarily G1-phase arrest as well as the generation of reactive oxygen species (ROS). The complexes are found to bind DNA in a non-intercalative fashion and cause unwinding of plasmid DNA in a cell-free medium. Surprisingly, the cytotoxic complexes H1 and H6 differ in their interaction with DNA, as observed by biophysical studies, they either cause a biphasic melting of the DNA or the inhibition of topoisomerase-IIα activity, respectively. Substitution of the aromatic ring of the heterocycle or adding a second hydrogen-bond donor on the heterocycle reduces the cytotoxicity. Copyright