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787549-26-2

787549-26-2 Structure

787549-26-2 Structure
IdentificationBack Directory
[Name]

MOCPAC
[CAS]

787549-26-2
[Synonyms]

MOCPAC >=95% (HPLC), solid
Carbamic acid, N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]-, phenylmethyl ester
[Molecular Formula]

C27H31N3O6
[MDL Number]

MFCD08705325
[MOL File]

787549-26-2.mol
[Molecular Weight]

493.55
Chemical PropertiesBack Directory
[Melting point ]

161 °C
[Boiling point ]

804.4±65.0 °C(Predicted)
[density ]

1.246±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

DMSO: 21 mg/mL, soluble
[form ]

solid
[pka]

11.02±0.46(Predicted)
[color ]

White to off-white
[InChIKey]

BFDGUJKFQRJHJM-QFIPXVFZSA-N
[SMILES]

CCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccc3C(C)=CC(=O)Oc3c2
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

MOCPAC is an HDAC1 specific substrate[1].
[Biological Activity]

Selective HDAC1 substrate (over HDAC6class I over class II).
[IC 50]

HDAC1
[References]

[1] Sim?es-Pires CA, et al. Simultaneous Measurement of HDAC1 and HDAC6 Activity in HeLa Cells Using UHPLC-MS. J Vis Exp. 2017 Aug 10;(126):55878. DOI:10.3791/55878
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