Name: BIX01294 (hydrochloride hydrate)
Rating: 5 (10 reviews)

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HIT ID:HIT212972299
Cas No:1808255-64-2
常用名:BIX01294 (hydrochloride hydrate)
常用名:BIX01294 (hydrochloride hydrate)
IUPAC:N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine hydrate trihydrochloride
IUPAC:N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine hydrate trihydrochloride
InChI key:BZOWJAYUMMHCDW-UHFFFAOYSA-N

分子式:C28H43Cl3N6O3
分子量:618.04
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:3.6221442
SMILES:O.Cl.Cl.Cl.COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
SMILES:O.Cl.Cl.Cl.COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1

The methylation of lysine residues on histones plays a central role in determining euchromatin structure and gene expression. The histone methyltransferase (HMTase) G9a can mono- or dimethylate lysine 9 on histone 3 (H3), contributing to early embryogenesis, genomic imprinting, and lymphocyte development. BIX01294 (hydrochloride hydrate) is a selective inhibitor of G9a HMTase (IC50 = 1.7 μM). It less effectively inhibits the HMTase G9a-like protein (GLP; IC50 = 38 μM) and has no effect on other known HMTases. BIX01294 has been used in combination with the calcium channel activator BayK8644 to facilitate the generation of induced pluripotent stem cells from somatic cells in vitro.

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