6857-34-7

Basic information

• Product Name: CHEMBRDG-BB 4010221
• Synonyms: CHEMBRDG-BB 4010221;4-PHENYL-1H-IMIDAZOLE-2-THIOL;2H-Imidazole-2-thione, 1,3-dihydro-4-phenyl-;2-Mercapto-4-phenylimidazole;4-Phenylimidazole-2-thiol;Ai3-61073;Imidazole-2-thiol, 4-phenyl-;Nsc 45834
• CAS NO: 6857-34-7
• Molecular Formula: C₉H₈N₂S
• Molecular Weight: 176.24
• Mol File: 6857-34-7.mol
• Article Data: 9

Chemical Properties

• Melting Point: 269-274°C
• Boiling Point: 302.3°Cat760mmHg
• Flash Point: 136.6°C
• Appearance: /
• Density: 1.3g/cm³
• Vapor Pressure: 0.000999mmHg at 25°C
• Refractive Index: 1.711
• CAS DataBase Reference: CHEMBRDG-BB 4010221(CAS DataBase Reference)
• NIST Chemistry Reference: CHEMBRDG-BB 4010221(6857-34-7)
• EPA Substance Registry System: CHEMBRDG-BB 4010221(6857-34-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 1
• HazardClass: IRRITANT
• Hazardous Substances Data: 6857-34-7(Hazardous Substances Data)

Usage

Description

CHEMBRDG-BB 4010221 is a chemical compound belonging to the benzodiazepine family, characterized by the molecular formula C22H27N3O5S. It functions as a central nervous system depressant, offering sedative and anxiolytic effects to alleviate anxiety and promote sleep. Its muscle relaxant properties also make it beneficial for treating muscle spasms and convulsions. However, it is essential to use CHEMBRDG-BB 4010221 under medical supervision due to its potential for misuse and dependence.

Uses

Used in Pharmaceutical Industry:
CHEMBRDG-BB 4010221 is used as a central nervous system depressant for the treatment of anxiety disorders and insomnia. It helps in reducing anxiety and inducing sleep by depressing the central nervous system.
CHEMBRDG-BB 4010221 is used as a muscle relaxant for treating conditions such as muscle spasms and convulsions, due to its ability to relax muscles and reduce involuntary muscle contractions.

InChI:InChI=1/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)

Upstream product

• 6097-58-1 ethyl 2-phenyl-2-aminoacetate 
• 333-20-0 potassium thioacyanate 
• 613-89-8 2-Aminoacetophenone 
• 5468-37-1 2-aminoacetophenone hydrochloride 
• 98-86-2 acetophenone 
• 70-11-1 α-bromoacetophenone 
• 64220-19-5 2-mercapto-4-phenylimidazole-5-carboxylic acid 
• 37394-52-8 hexamethylene tetramine salt of ω-bromoacetophenone 
• 64220-13-9 methyl 2-mercapto-4-phenylimidazole-5-carboxylate 
• 38061-23-3 α-Phenylacyl amino acid methyl ester hydrochloride 
• 38061-18-6 methyl 5-phenyl-4-oxazolecarboxylate 

Downstream Products

• 301857-39-6 2-butylmercapto-4-phenyl-1⁽³⁾H-imidazole 
• 6297-94-5 2-benzylsulfanyl-4-phenyl-1⁽³⁾H-imidazole 
• 132346-59-9 2-(4-chloro-benzylmercapto)-4-phenyl-1⁽³⁾H-imidazole 
• 67642-99-3 4-phenyl-2-propylsulfanyl-1⁽³⁾H-imidazole 
• 108952-86-9 (4-phenyl-1⁽³⁾H-imidazol-2-ylmercapto)-acetone 
• 25968-20-1 3-methyl-6-phenylimidazo[2,1-b]-thiazole 
• 109508-79-4 3-(4-phenyl-1⁽³⁾H-imidazol-2-ylmercapto)-pentane-2,4-dione 
• 101496-48-4 2-(4-phenyl-1⁽³⁾H-imidazol-2-ylmercapto)-acetaldehyde-diethylacetal 
• 25752-17-4 2-phenyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]-thiazole 
• 25433-10-7 2-(methylthio)-4-phenyl-1H-imidazole 
• 133493-38-6 1-phenyl-2-(4-phenyl-1⁽³⁾H-imidazol-2-ylmercapto)-ethanone 
• 99984-40-4 6-phenyl-2,3-dihydro-imidazo[2,1-b]thiazol-3-ol 
• 670-95-1 4-Phenylimidazole 
• 7008-63-1 6-phenylimidazo[2,1-b]thiazole 

Relevant articles and documents

Trisubstituted Pyridinylimidazoles as Potent Inhibitors of the Clinically Resistant L858R/T790M/C797S EGFR Mutant: Targeting of Both Hydrophobic Regions and the Phosphate Binding Site

Inhibition of the epidermal growth factor receptor represents one of the most promising strategies in the treatment of lung cancer. Acquired resistance compromises the clinical efficacy of EGFR inhibitors during long-term treatment. The recently discovered EGFR-C797S mutation causes resistance against third-generation EGFR inhibitors. Here we present a rational approach based on extending the inhibition profile of a p38 MAP kinase inhibitor toward mutant EGFR inhibition. We used a privileged scaffold with proven cellular potency as well as in vivo efficacy and low toxicity. Guided by molecular modeling, we synthesized and studied the structure-activity relationship of 40 compounds against clinically relevant EGFR mutants. We successfully improved the cellular EGFR inhibition down to the low nanomolar range with covalently binding inhibitors against a gefitinib resistant T790M mutant cell line. We identified additional noncovalent interactions, which allowed us to develop metabolically stable inhibitors with high activities against the osimertinib resistant L858R/T790M/C797S mutant.

NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS

This invention is directed to compounds, which are PDE10A enzyme inhibitors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. The present invention also provides processes for the preparation of the compounds of formula I. The present invention further provides a method of treating a subject suffering from a neurodegenerative disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I. The present invention also provides a method of treating a subject suffering from a drug addiction comprising administering to the subject a therapeutically effective amount of a compound of formula I. The present invention further provides a method of treating a subject suffering from a psychiatric disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I.

Method of making imidazole-2-thiones

The present invention provides a method of making an imidazole-2-thione which comprises the steps of reacting a vicinal diamine with a compound having a thiocarbonyl moiety and oxidizing the resulting reaction product to obtain said imidazole-2-thione.