Name: M-525
Rating: 5 (10 reviews)

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HIT ID:HIT212672506
Cas No:2173582-08-4
常用名:M-525
IUPAC:methyl N-[(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[(2E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl]carbamate
IUPAC:methyl N-[(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[(2E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl]carbamate
InChI key:PJMFCNODKBGQNV-HDDNKGPMSA-N

分子式:C39H51FN6O5S
分子量:734.93
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:3.7062242
SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1

M-525 binds to menin (IC50: 3 nM) and achieves low nanomolar potencies in cell growth inhibition and in the suppression of MLL regulated gene expression in MLL leukemia cells. M-525 is a first-in-class, highly potent, irreversible, and covalent menin-MLL protein-protein interaction inhibitor. It has an Anti-leukemia activity.

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