Description:
TAS0728 is a potent and seletive HER2 inhibitor possibly used for the treatment of various cancers. It covalently binds to HER2 at C805 and selectively inhibits its kinase activity.
Molecular Formula:
C26H32N8O3
Canonical SMILES:
CC1=C(C=CC(=C1C)NC(=O)C2=NN(C3=NC=NC(=C23)N)C4CCCN(C4)C(=O)C=C)CC(=O)N(C)C
InChI:
InChI=1S/C26H32N8O3/c1-6-20(35)33-11-7-8-18(13-33)34-25-22(24(27)28-14-29-25)23(31-34)26(37)30-19-10-9-17(15(2)16(19)3)12-21(36)32(4)5/h6,9-10,14,18H,1,7-8,11-13H2,2-5H3,(H,30,37)(H2,27,28,29)/t18-/m1/s1
InChIKey:
JCCIICHPRAAMGK-GOSISDBHSA-N
Synonyms:
(R)-1-(1-acryloylpiperidin-3-yl)-4-amino-N-(4-(2-(dimethylamino)-2-oxoethyl)-2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide Más detalles se encuentran
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