Name: TX2-121-1
Rating: 5 (10 reviews)

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HIT ID:HIT212713828
Cas No:1603845-42-6
常用名:TX2-121-1
别名:TX 2-121-1, TX 21211
IUPAC:(2R)-4-(adamantan-1-yl)-N-[2-(4-{4-amino-3-[4-phenoxy-3-(prop-2-enamido)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl)ethyl]-2-methylbutanamide
IUPAC:(2R)-4-(adamantan-1-yl)-N-[2-(4-{4-amino-3-[4-phenoxy-3-(prop-2-enamido)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl)ethyl]-2-methylbutanamide
InChI key:GKJWHLDKQULMHJ-PZMWFESPSA-N

分子式:C42H52N8O3
分子量:716.931
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:6.1733823
SMILES:C[C@H](CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCN1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)c(NC(=O)C=C)c2)c2c(N)ncnc12
SMILES:C[C@H](CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCN1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)c(NC(=O)C=C)c2)c2c(N)ncnc12

TX2-121-1 targets HER3 for proteasome-mediated degradation to inhibit HER3-dependent signalling and growth.

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