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EPS002

MS-275

Name: MS-275
Brand: SIGMA

A HDAC1 and HDAC3 inhibitor

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):

C₂₁H₂₀N₄O₃

CAS Number:

209783-80-2

Molecular Weight:

376.41

NACRES:

NA.41

PubChem Substance ID:

329799578

UNSPSC Code:

12352200

MDL number:

MFCD03453552

Assay:

≥99%

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Properties

assay

≥99%

solubility

DMSO: 38 mg/mL

storage temp.

−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)

Description

General description

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

Application

MS-275 has been used as a histone deacetylase-1 inhibitor.

Biochem/physiol Actions

HDAC inhibitor; antiproliferative.

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pictograms

GHS06,GHS08

signalword

Danger

hcodes

H301,H360

pcodes

P202 - P264 - P280 - P301 + P310 - P405 - P501

Hazard Classifications

Acute Tox. 3 Oral - Repr. 1A

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c