ALK-IN-6 | CAS 2055821-33-3 | AnyMole

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HIT212686857

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HIT212686857

HIT ID:HIT212686857
Cas No:2055821-33-3
常用名:ALK-IN-6
IUPAC:5-chloro-N2-[2-(2H3)methoxy-5-methyl-4-(piperidin-4-yl)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
IUPAC:5-chloro-N2-[2-(2H3)methoxy-5-methyl-4-(piperidin-4-yl)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
InChI key:BXJYIWUWXJWABE-GKOSEXJESA-N

分子式:C26H32ClN5O3S
分子量:533.1
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:5.0207872
SMILES:[2H]C([2H])([2H])Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
SMILES:[2H]C([2H])([2H])Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

ALK-IN-6 is an orally bioavailable inhibitor of anaplastic lymphoma kinase (ALK, IC50s: 71 nM, 18.72 nM, and 36.81 nM for ALK wild, ALK F1196M and ALK F1174L).

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