Merck MS-275

MS-275

A HDAC1 and HDAC3 inhibitor

3-pyridinylmethyl [[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]carbamate, MS-275 (Entinostat, SNDX-275), N-(2-Aminophenyl)-4-[N-(pyridine-3ylmethoxycarbonyl)aminomethyl]benzamide

Quality Level

100

assay

≥99%

solubility

DMSO: 38 mg/mL

저장 온도

−20°C

SMILES string

Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2

InChI

1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

InChI key

INVTYAOGFAGBOE-UHFFFAOYSA-N

Gene Information

human ... HDAC1(3065) , HDAC10(83933) , HDAC11(79885) , HDAC2(3066) , HDAC3(8841) , HDAC4(9759) , HDAC5(10014) , HDAC6(10013) , HDAC7(51564) , HDAC8(55869) , HDAC9(9734)

Preferentially inhibits HDAC1 (IC50=300 nM) over HDAC3 (IC50=8 μM). Has no inhibitory activity towards HDAC8 (IC50>100 μM).