ALK/ROS1-IN-1 | CAS 2365497-07-8 | AnyMole

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HIT212686854

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HIT212686854

HIT ID:HIT212686854
Cas No:2365497-07-8
常用名:ALK/ROS1-IN-1
IUPAC:(3S)-1-(2-{[2-methoxy-4-(piperazin-1-yl)phenyl]amino}pyridin-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-3-carboxamide
IUPAC:(3S)-1-(2-{[2-methoxy-4-(piperazin-1-yl)phenyl]amino}pyridin-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-3-carboxamide
InChI key:JQWJRFOFKDLCQB-QFIPXVFZSA-N

分子式:C30H35F3N6O3
分子量:584.644
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:5.113781
SMILES:COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCNCC1
SMILES:COc1cc(ccc1Nc1cc(ccn1)N1CCC[C@@H](C1)C(=O)NCc1ccc(OC(F)(F)F)cc1)N1CCNCC1

ALK/ROS1-IN-1 is a potent and selective anti-crizotinib-resistant ALK/ROS1 dual inhibitor (IC50s: 0.530 μM and 0.174 μM for ROS1 and ALK enzyme).

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TargetMolSC
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8-10周
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-
¥ 10,600.00
1

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