2-Methyl-2-Propanyl {(2S)-6-Acetamido-1-[(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Amino]-1-Oxo-2-Hexanyl}Carbamate
[CAS# 233691-67-3]

Identification

• Name: 2-Methyl-2-Propanyl {(2S)-6-Acetamido-1-[(4-Methyl-2-Oxo-2H-Chromen-7-Yl)Amino]-1-Oxo-2-Hexanyl}Carbamate
• Synonyms: (S)-tert-Butyl (6-acetamido-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate; [(S)-5-Acetylamino-1-(4-methyl-2-oxo-2H-chromen-7-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester; HDAC Substrate (Fluorometric)
• Molecular Formula: C₂₃H₃₁N₃O₆
• Molecular Weight: 445.51
• CAS Registry Number: 233691-67-3
• SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)OC(C)(C)C
• InChI: 1S/C23H31N3O6/c1-14-12-20(28)31-19-13-16(9-10-17(14)19)25-21(29)18(8-6-7-11-24-15(2)27)26-22(30)32-23(3,4)5/h9-10,12-13,18H,6-8,11H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
• InChIKey: SUTRDULVNIPNLW-SFHVURJKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 732.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 396.9±32.9°C (Cal.)
• Refractive index: 1.557 (Cal.)

References

• (1): Bradner et al.. Chemical Phylogenetics of Histone Deacetylases, Nature Chemical Biology, 2010