EPZ004777 hydrochloride - CAS 1380316-03-9

EPZ004777 hydrochloride(Cat No.:I001466) is a selective inhibitor of lysine-specific demethylase 1 (LSD1), an enzyme involved in the regulation of gene expression through histone modifications. It acts by binding to the catalytic domain of LSD1, inhibiting its demethylase activity. EPZ004777 hydrochloride has demonstrated potent antiproliferative activity against cancer cells, particularly in leukemia and neuroblastoma models. It is being investigated as a potential therapeutic agent for the treatment of various cancers and other diseases associated with dysregulated histone methylation.

Catalog Number: I001466

CAS Number: 1380316-03-9

PubChem Substance ID:355049832

Molecular Formula: C28H41N7O4.HCl

Molecular Weight:576.13

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms1-[3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea;hydrochloride

Property

Molecular Formula: C28H41N7O4.HCl
Molecular Weight576.13
Target:Histone Methyltransferase
Solubility10 mM in DMSO
Purity≥95%
Storage4°C, protect from light
IC500.4 nM [1]

Computed Descriptor

IUPAC Name1-[3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea;hydrochloride
InChIInChI=1S/C28H41N7O4.ClH/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35;/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38);1H/t21-,22-,23-,26-;/m1./s1
InChIKeyNPEPLDAFAVXSBD-XRJUUMFPSA-N
SMILESCC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O.Cl