2-甲基-2-丙基(2R)-2-异丙基-1-哌嗪羧酸酯盐酸盐(1:1) | 955979-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-甲基-2-丙基(2R)-2-异丙基-1-哌嗪羧酸酯盐酸盐(1:1)
• 中文别名: R-1-N-BOC-2-异丁基哌嗪盐酸盐
• 英文名称: Boc-alpha-(R)-isopropyl-piperazine hydrochloride
• 英文别名: (R)-2-isopropyl-piperazine-1-carboxylic acid tert-butyl ester hydrochloride；(R)-tert-Butyl 2-isopropylpiperazine-1-carboxylate hydrochloride；tert-butyl (2R)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
• CAS: 955979-06-3
• 化学式: C₁₂H₂₄N₂O₂*ClH
• 分子量: 264.796
• InChiKey: ILEMLVIGGJLCHC-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-(6-(溴甲基)-2-氯噻吩并[3,2-d]嘧啶-4-基)吗啉 、 2-甲基-2-丙基(2R)-2-异丙基-1-哌嗪羧酸酯盐酸盐(1:1) 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以97%的产率得到(R)-4-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-2-isopropyl-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/122410

  摘要：

  公开号：

文献信息

• PIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CANCER
  申请人：PITTY Marc-Henry

  公开号：US20140356360A1

  公开（公告）日：2014-12-04

  The present invention relates to piperazinyl derivatives of formula (I) and the use thereof as a drug, particularly for the treatment of cancer, the pharmaceutical compositions containing said derivatives, and the method for synthesising same.

  本发明涉及式(I)的哌嗪衍生物以及其作为药物的用途，特别是用于癌症治疗的药物，包含该衍生物的药物组合物，以及其合成方法。
• PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS
  申请人：Baker Stewart James

  公开号：US20100016306A1

  公开（公告）日：2010-01-21

  Thienopyrimidines of formula (Ia) or (Ib): wherein R 1 -R 3 have any of the values described herein, and the pharmaceutically acceptable salt thereof have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase, in particular the p110 delta subtype, such as immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(Ia)或(Ib)的噻唑并[3,2-d]嘧啶类化合物：其中R1-R3具有以下任何一种所述的值，以及其药学上可接受的盐具有PI3K抑制剂活性，因此可用于治疗由于PI3激酶异常细胞生长、功能或行为引起的疾病和障碍，特别是p110 delta亚型，例如免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经障碍。还描述了合成该化合物的方法。
• PHARMACEUTICAL COMPOUNDS
  申请人：Baker Stewart James

  公开号：US20120283257A1

  公开（公告）日：2012-11-08

  Thienopyrimidines of formula (Ia) or (Ib): wherein R 1 -R 3 have any of the values described herein, and the pharmaceutically acceptable salt thereof have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase, in particular the p110 delta subtype, such as immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  公式（Ia）或（Ib）的噻唑嘧啶类化合物：其中R1-R3具有此处所述的任何值，其药学上可接受的盐具有PI3K抑制剂活性，因此可用于治疗由与PI3激酶相关的异常细胞生长、功能或行为引起的疾病和障碍，尤其是p110 delta亚型，如免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经障碍。还描述了合成这些化合物的过程。
• Pyrimidine derivatives as PI3K inhibitors
  申请人：F. Hoffman-La Roche AG

  公开号：US08252792B2

  公开（公告）日：2012-08-28

  Thienopyrimidines of formula (Ia) or (Ib): wherein R1-R3 have any of the values described herein, and the pharmaceutically acceptable salt thereof have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase, in particular the p110 delta subtype, such as immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(Ia)或(Ib)的噻唑并[4,5]吡咯衍生物： 其中R1-R3具有所述的任何值，并且其药学上可接受的盐具有PI3K抑制剂的活性，因此可用于治疗由PI3激酶异常细胞生长、功能或行为引起的疾病和障碍，特别是p110 delta亚型，例如免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经障碍。还描述了合成这些化合物的方法。
• Pharmaceutical compounds
  申请人：Baker Stewart James

  公开号：US08697693B2

  公开（公告）日：2014-04-15

  Thienopyrimidines of formula (Ia) or (Ib): wherein R1-R3 have any of the values described herein, and the pharmaceutically acceptable salt thereof have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behavior associated with PI3 kinase, in particular the p110 delta subtype, such as immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(Ia)或(Ib)的噻唑并[3,2-d]嘧啶：其中R1-R3具有此处所述的任何值，其药学上可接受的盐具有抑制PI3K的活性，因此可用于治疗由PI3激酶引起的异常细胞生长、功能或行为所导致的疾病和障碍，特别是p110 delta亚型，如免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经障碍。还描述了合成化合物的过程。