Isopropyl 3-{[Benzyl(Methyl)Amino]Methyl}-7-(2,6-Difluorobenzyl)-2-[4-(Isobutyrylamino)Phenyl]-4-Oxo-4,7-Dihydrothieno[2,3-b]Pyridine-5-Carboxylate
[CAS# 192887-28-8]

Identification

• Name: Isopropyl 3-{[Benzyl(Methyl)Amino]Methyl}-7-(2,6-Difluorobenzyl)-2-[4-(Isobutyrylamino)Phenyl]-4-Oxo-4,7-Dihydrothieno[2,3-b]Pyridine-5-Carboxylate
• Synonyms: [192887-28-8]; 3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; 7-[(2,6-Difluorophenyl)methyl]-4,7-dihydro-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl(phenylmethyl)amino]methyl]-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid 1-methylethyl ester
• Molecular Formula: C₃₇H₃₇F₂N₃O₄S
• Molecular Weight: 657.77
• CAS Registry Number: 192887-28-8
• SMILES: CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5
• InChI: 1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
• InChIKey: RANJJVIMTOIWIN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 790.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 432.1±32.9°C (Cal.)
• Refractive index: 1.621 (Cal.)
• solubility: Soluble to 50 mM in DMSO