N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfuric diamide
[CAS# 917879-39-1]

Identification

• Classification: Biochemical >> Inhibitor >> Protein tyrosine kinase
• Name: N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfuric diamide
• Synonyms: MK 2461; MK-2461; N-((2R)-1,4-Dioxan-2-ylmethyl)-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide
• Molecular Formula: C₂₄H₂₅N₅O₅S
• Molecular Weight: 495.55
• CAS Registry Number: 917879-39-1
• SMILES: CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)C[C@@H]5COCCO5)N=C2
• InChI: 1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
• InChIKey: JGEBLDKNWBUGRZ-HXUWFJFHSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 732.4±70.0°C at 760 mmHg (Cal.)
• Flash point: 396.7±35.7°C (Cal.)
• Refractive index: 1.693 (Cal.)