(phosphonooxy)methyl (S)-((1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methaneyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)(8-chloro-3-cyano-4-(neopentylamino)quinolin-6-yl)carbamate | 2567459-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (phosphonooxy)methyl (S)-((1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methaneyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)(8-chloro-3-cyano-4-(neopentylamino)quinolin-6-yl)carbamate
• 英文别名: (phosphonooxy)methyl (S)-((1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)(8-chloro-3-cyano-4-(neopentylamino)quinolin-6-yl)carbamate；Tilpisertib fosmecarbil；phosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamate
• CAS: 2567459-64-5
• 化学式: C₃₅H₃₆ClN₈O₇P
• 分子量: 747.147
• InChiKey: FPQIBCPWXJSFOQ-ILNPBIMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  196
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  ((di-tert-butoxyphosphoryl)oxy)methyl (S)-((1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)(8-chloro-3-cyano-4-(neopentylamino)quinolin-6-yl)carbamate 在 甲醇 、 乙酰氯 作用下， 生成 (phosphonooxy)methyl (S)-((1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methaneyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)(8-chloro-3-cyano-4-(neopentylamino)quinolin-6-yl)carbamate
  参考文献：
  名称：

  [EN] SOLID FORMS OF A COMPOUND FOR MODULATING COT
  [FR] FORMES SOLIDES D'UN COMPOSÉ POUR MODULATION DE COT

  摘要：

  Disclosed herein are solid forms of a compound useful for modulating Cot. The disclosure also relates to pharmaceutical compositions containing one or more of the solid forms disclosed herein, as well as methods of using the solid forms in the treatment of conditions mediated by Cot. The disclosure also relates to methods for obtaining such solid forms.

  公开号：

  WO2023220123A1

文献信息

• [EN] COT MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE COT ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GILEAD SCIENCES INC

  公开号：WO2020252151A1

  公开（公告）日：2020-12-17

  The present disclosure relates generally to modulators of Cot (cancer Osaka thyroid) of generic Formula (I) and methods of use and manufacture thereof.

  本公开涉及一般性地与Cot（癌症大阪甲状腺）的通用化学式（I）的调节剂，以及其使用和制造方法。
• Cot modulators and methods of use thereof
  申请人：Gilead Sciences, Inc.

  公开号：US10947259B2

  公开（公告）日：2021-03-16

  The present disclosure relates generally to modulators of Cot (cancer Osaka thyroid) and methods of use and manufacture thereof.

  本公开一般涉及Cot（癌症大阪甲状腺）的调节剂及其使用和制造方法。
• COT MODULATORS AND METHODS OF USE THEREOF
  申请人：Gilead Sciences, Inc.

  公开号：US20200392170A1

  公开（公告）日：2020-12-17

  The present disclosure relates generally to modulators of Cot (cancer Osaka thyroid) and methods of use and manufacture thereof.
• [EN] COMPOUNDS FOR TREATING NASH AND NAFLD<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE SHNA ET DE NAFLD
  申请人：[en]GILEAD SCIENCES, INC.

  公开号：WO2022256529A1

  公开（公告）日：2022-12-08

  The present disclosure relates generally to methods of using modulators of COT (cancer Osaka thyroid) for treating, stabilizing, or lessening the severity or progression of liver disease, in particular, Nonalcoholic fatty liver disease (NAFLD) or nonalcoholic steatohepatitis (NASH).