CAS 2098490-06-1

2-[(2-Bromo-2,2-difluoroacetyl)amino]-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta[b]thiophene-3-carboxamide

Description:

The chemical substance known as 2-[(2-Bromo-2,2-difluoroacetyl)amino]-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta[b]thiophene-3-carboxamide is a complex organic compound characterized by its unique structural features. It contains a cycloheptathiophene core, which is a fused ring system that incorporates sulfur, contributing to its potential biological activity. The presence of a bromo and difluoroacetyl group suggests reactivity and potential for interactions in biological systems, while the amide functional group indicates possible hydrogen bonding capabilities. The compound also features a tetrahydro structure, indicating saturation in part of its ring system, which can influence its conformational flexibility. The presence of a 2-methylphenyl substituent adds to its lipophilicity, potentially affecting its solubility and permeability. Overall, this compound may exhibit interesting pharmacological properties, making it a candidate for further investigation in medicinal chemistry and drug development. However, specific properties such as melting point, solubility, and biological activity would require empirical data for comprehensive characterization.

Formula: C₁₉H₁₉BrF₂N₂O₂S

InChI: InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)

InChI key: InChIKey=VLFFBQAZZDJCHK-UHFFFAOYSA-N

SMILES: C(NC1=C(C)C=CC=C1)(=O)C=2C3=C(SC2NC(C(Br)(F)F)=O)CCCCC3

Synonyms:

• 2-[(2-Bromo-2,2-difluoroacetyl)amino]-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta[b]thiophene-3-carboxamide
• 4H-Cyclohepta[b]thiophene-3-carboxamide, 2-[(2-bromo-2,2-difluoroacetyl)amino]-5,6,7,8-tetrahydro-N-(2-methylphenyl)-
• 2-(2-Bromo-2,2-difluoroacetamido)-N-(o-tolyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
• TMEM16A Inhibitor C10bm

ANO1-IN-4

CAS: 2098490-06-1

ANO1-IN-4 (Compound 10bm) is a reversible inhibitor of the calcium-activated chloride channel transmembrane protein 16A (TMEM16A, also known as ANO1), with an IC50 of 0.030 µM. It demonstrates good metabolic stability in rat liver microsomes and can inhibit spontaneous contractions in isolated mouse ileum.

Formula: C₁₉H₁₉BrF₂N₂O₂S

Color and Shape: Solid

Molecular weight: 457.33

Ref: TM-T203487