6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine | 2446480-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: Ksq-4279；6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
• CAS: 2446480-97-1
• 化学式: C₂₇H₂₅F₃N₈O
• 分子量: 534.544
• InChiKey: KCBWAFJCKVKYHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  10

安全信息

• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330
• 危险性描述：
  H302,H315,H319

反应信息

• 作为反应物：
  描述：

  6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以89 %的产率得到6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  WO2023/108048

  摘要：

  公开号：
• 作为产物：
  描述：

  6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4- (trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine hydrate 反应 0.33h， 生成 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  [EN] SOLID STATE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES AND USES THEREOF
  [FR] FORMES DE PYRAZOLOPYRIMIDINES SUBSTITUÉES À L'ÉTAT SOLIDE ET LEURS UTILISATIONS

  摘要：

  本公开涉及以下内容：a）化合物I式、化合物II式和化合物III式的固态形式；b）包含一种或多种化合物I式、化合物II式和化合物III式的固态形式的制药组合物，以及可选的药用载体或稀释剂；c）通过向需要治疗肿瘤或癌症的受试者注射一种或多种化合物I式、化合物II式和化合物III式的固态形式的治疗方法；和d）制备化合物I式、化合物II式和化合物III式的固态形式的方法。

  公开号：

  WO2022094096A1

文献信息

• SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS
  申请人：KSQ Therapeutics, Inc.

  公开号：EP3897652A1

  公开（公告）日：2021-10-27
• THERAPEUTIC COMBINATIONS COMPRISING UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS AND POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS
  申请人：KSQ Therapeutics, Inc.

  公开号：EP4103165A1

  公开（公告）日：2022-12-21
• SOLID STATE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES AND USES THEREOF
  申请人：KSQ Therapeutics, Inc.

  公开号：US20220162213A1

  公开（公告）日：2022-05-26

  The present disclosure relates to: a) solid state forms of a compound of Formula (I), a compound of Formula (II), and a compound of Formula (III); b) pharmaceutical compositions comprising one or more solid state forms of a compound of Formula (I), a compound of Formula (II), and a compound of Formula (III), and optionally, a pharmaceutically acceptable carrier or diluent; c) methods of treating tumors or cancers by administering one or more solid state forms of a compound of Formula (I), a compound of Formula (II), and a compound of Formula (III) to a subject in need thereof; and d) methods for the preparation of solid state forms of a compound of Formula (I), a compound of Formula (II), and a compound of Formula (III).
• [EN] SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINES SUBSTITUÉES ET PURINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTÉASE 1 DE TRAITEMENT SPÉCIFIQUE DE L'UBIQUITINE
  申请人：KSQ THERAPEUTICS INC

  公开号：WO2020132269A1

  公开（公告）日：2020-06-25

  The present disclosure provides compounds having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein X1, X2, X11, X12, R1, R3, R5, R5', R6, and R7 are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to inhibit a USP1 protein and/or to treat a disorder responsive to the inhibition of USP1 proteins and USP1 activity. Compounds of the present disclosure are especially useful for treating cancer.
• [EN] COMPOSITIONS OF SUBSTITUTED PYRAZOLOPYRIMIDINES AND USES THEREOF<br/>[FR] COMPOSITIONS DE PYRAZOLOPYRIMIDINES SUBSTITUÉES ET LEURS UTILISATIONS
  申请人：KSQ THERAPEUTICS INC

  公开号：WO2021146378A1

  公开（公告）日：2021-07-22

  Pharmaceutical formulations comprising substituted pyrazolopyrimidines are disclosed herein. Also disclosed are amorphous solid dispersions comprising substituted pyrazolopyrimidines, processes for preparing these amorphous solid dispersions, pharmaceutical compositions comprising such dispersions, and methods of use thereof.