Pinometostat
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol
Molecular Identity
Pinometostat
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol
PubChem CID: 57345410
Pinometostat (EPZ-5676) is a potent DOT1L histone methyltransferase inhibitor.
2D Structure
Properties
C30H42N8O3
Molecular Formula
562.70
Molecular Weight
g/mol
562.3380
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
151
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
884
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)CIsomeric SMILES
SMILES: CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)CSynonyms(20)
pinometostat1380288-87-8EPZ-5676EPZ5676Pinometostat, trans-Pinometostat [INN](2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diolPinometostat anhydrousC30H42N8O3MFCD24849416(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((lr,3S)-3-(2-(5-(tert-butyl)-lH-benzo[d]imidazol2yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol1380288-88-9Pinometostat (EPZ5676)8V9YR09EF3CHEMBL3414626
Data from PubChem (NCBI)
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Drug Network
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