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2-氨基-4-(4-氯-2-(2-(4-氟-1H-吡唑-1-基)乙氧基)-6-甲基苯基)-n-(2,2-二氟丙基)-5H-吡咯并[3,4-d]嘧啶-6(7h)-羧酰胺
2-amino-4-[4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
化合物简介
A novel potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitor of heat shock protein 90 (Hsp90). It has been shown to induce degradation of multiple client proteins, cell-cycle block, apoptosis, and inhibits cell proliferation in triple-negative breast cancer (TNBC) lines, subsequently leading to tumor growth inhibition in mouse xenograft models.
基本信息
CAS:1207961-33-8
中文别名:
英文别名:2-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide;2-Amino-4-[4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (2,2-difluoropropyl)amide;
分子式:C22H23ClF3N7O2
分子量:509.912
精确质量:509.155
Psa:111.19
Logp:4.6926
中文别名:
英文别名:2-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide;2-Amino-4-[4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (2,2-difluoropropyl)amide;
分子式:C22H23ClF3N7O2
分子量:509.912
精确质量:509.155
Psa:111.19
Logp:4.6926
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1H NMR : Predict

13C NMR : Predict
