Name: BCR-ABL-IN-3
Rating: 5 (10 reviews)

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HIT ID:HIT214323218
Cas No:2240191-12-0
常用名:BCR-ABL-IN-3
IUPAC:N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide
IUPAC:N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide
InChI key:FRZBTFSKVJHICX-OAHLLOKOSA-N

分子式:C20H17ClF2N4O3S
分子量:466.89
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1CCN(C1)c1ncc(cc1-c1cnsc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
SMILES:O[C@@H]1CCN(C1)c1ncc(cc1-c1cnsc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

BCR-ABL-IN-3 is a highly effective and irreversibly binding inhibitor of Bcr-Abl, displaying a remarkable potency with an IC50 value of ≤100 nM for Ba/F3 Bcr-Abl T3151. This compound exhibits significant anti-cancer activity.

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