(2S,6R)-tert-butyl 4-(5-((R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-cyano-2-methyl-5-oxopent-3-en-2-yl)-2,6-dimethylpiperazine-1-carboxylate | 1575591-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,6R)-tert-butyl 4-(5-((R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-cyano-2-methyl-5-oxopent-3-en-2-yl)-2,6-dimethylpiperazine-1-carboxylate
• 英文别名: tert-butyl (2S,6R)-4-[5-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-cyano-2-methyl-5-oxopent-3-en-2-yl]-2,6-dimethylpiperazine-1-carboxylate
• CAS: 1575591-53-5
• 化学式: C₄₀H₄₈FN₉O₄
• 分子量: 737.877
• InChiKey: WANHRGSYYZOJMY-FULLSBAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  156
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (2S,6R)-tert-butyl 4-(5-((R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-cyano-2-methyl-5-oxopent-3-en-2-yl)-2,6-dimethylpiperazine-1-carboxylate 在 甲醇 、 二氯甲烷 、 Brine 、 Sodium sulfate-III 作用下， 以 盐酸 、 1,4-二氧六环 为溶剂， 反应 3.0h， 以to get pure product 2-((R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)-4-methylpent-2-enenitrile as a white solid的产率得到2-((R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)-4-methylpent-2-enenitrile
  参考文献：
  名称：

  Substituted pyrazolo[3,4-d]pyrimidines as kinase inhibitors

  摘要：

  本公开提供式（IA）化合物及其药学上可接受的盐，它们是酪氨酸激酶抑制剂，特别是BTK，可能用于治疗可通过抑制酪氨酸激酶治疗的疾病，如癌症、炎症性疾病（如关节炎）等。还提供了含有这些化合物和/或药学上可接受的盐的制药组合物，以及制备这些化合物和药学上可接受的盐的方法。

  公开号：

  US09266895B2

文献信息

• [EN] PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS PYRAZOLOPYRIMIDINE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2014039899A1

  公开（公告）日：2014-03-13

  The present disclosure provides compounds of Formula (IA) and/ or pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BTK, and are potentially useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer, inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and/or pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

  本公开提供了公式(IA)的化合物和/或其药用可接受的盐，这些化合物是酪氨酸激酶抑制剂，特别是BTK，并且可能用于治疗可以通过抑制酪氨酸激酶来治疗的疾病，例如癌症、炎症性疾病如关节炎等。还提供了包含这些化合物和/或其药用可接受的盐的药物组合物，以及制备这些化合物和其药用可接受的盐的过程。
• Pyrazolopyrimidine compounds as kinase inhibitors
  申请人：Principia Biopharma Inc.

  公开号：US08940744B2

  公开（公告）日：2015-01-27

  The present disclosure provides compounds of Formula (IA) and/or pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BTK, and are potentially useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer, inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and/or pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

  本公开提供公式（IA）化合物和/或其药学上可接受的盐，它们是酪氨酸激酶抑制剂，特别是BTK，并且可能用于治疗可通过抑制酪氨酸激酶治疗的疾病，如癌症，炎症性疾病如关节炎等。还提供包含这些化合物和/或其药学上可接受的盐的制药组合物以及制备这些化合物和药学上可接受的盐的过程。
• PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS
  申请人：PRINCIPIA BIOPHARMA INC.

  公开号：US20140364410A1

  公开（公告）日：2014-12-11

  The present disclosure provides compounds of Formula (IA) and/or pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BTK, and are potentially useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer, inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and/or pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

  本公开提供公式（IA）的化合物和/或其药学上可接受的盐，它们是酪氨酸激酶抑制剂，特别是BTK，并且可能用于治疗通过抑制酪氨酸激酶治疗的疾病，如癌症，炎症性疾病（如关节炎）等。还提供包含这些化合物和/或药学上可接受的盐的制药组合物以及制备这些化合物和药学上可接受的盐的过程。
• Substituted pyrazolo[3,4-d]pyrimidines as kinase inhibitors
  申请人：PRINCIPIA BIOPHARMA INC.

  公开号：US09266895B2

  公开（公告）日：2016-02-23

  The present disclosure provides compounds of Formula (IA) and or pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BTK, and are potentially useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer, inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and/or pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

  本公开提供式（IA）化合物及其药学上可接受的盐，它们是酪氨酸激酶抑制剂，特别是BTK，可能用于治疗可通过抑制酪氨酸激酶治疗的疾病，如癌症、炎症性疾病（如关节炎）等。还提供了含有这些化合物和/或药学上可接受的盐的制药组合物，以及制备这些化合物和药学上可接受的盐的方法。