RGFP 966, HDAC3 inhibitor

Key facts

CAS number

1357389-11-7

Purity

>99%

Form

Solid

form

Molecular weight

362.4 Da

Molecular formula

C₂₁H₁₉FN₄O

PubChem

56650312

Nature

Synthetic

Solubility

Soluble in DMSO to 100 mM

Biochemical name

(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide

Biological description

Potent, selective HDAC3 inhibitor (IC₅₀ = 80 nM). Induces DNA damage, impaired S phase progression and apoptosis in tumor cell lines. Shows central effects in vivo.

Canonical smiles

C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)N

Isomeric smiles

C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=C(C=C(C=C3)F)N

InChi

InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+

InChiKey

BLVQHYHDYFTPDV-VCABWLAWSA-N

IUPAC Name

(E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide