Simotinib hydrochloride | CAS 1538617-88-7 | AnyMole

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HIT214322631

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HIT214322631

HIT ID:HIT214322631
Cas No:1538617-88-7
常用名:Simotinib hydrochloride
IUPAC:N-(3-chloro-4-fluorophenyl)-6-(2-{5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl}ethoxy)-7-methoxyquinazolin-4-amine hydrochloride
IUPAC:N-(3-chloro-4-fluorophenyl)-6-(2-{5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl}ethoxy)-7-methoxyquinazolin-4-amine hydrochloride
InChI key:RNEAUPHMDFWZDA-UHFFFAOYSA-N

分子式:C25H27Cl2FN4O4
分子量:537.41
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2
SMILES:Cl.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2

Simotinib hydrochloride is a selective and orally bioavailable EGFR tyrosine kinase inhibitor, showing strong specificity with an IC 50 of 19.9 nM. This compound exhibits potent antineoplastic activities.

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TargetMolSC
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货期
6-8周
纯度
-
¥ 10,600.00
1

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