[1-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester | 955979-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: [1-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N-methylcarbamate
• CAS: 955979-04-1
• 化学式: C₂₂H₃₂ClN₅O₃S
• 分子量: 482.047
• InChiKey: NUGZVSSLMARYQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  99.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯-4-(4-吗啉)-噻吩并[3,2-d]嘧啶-6-羧醛 在 sodium tetrahydroborate 、 乙醇 、 四溴化碳 、 caesium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 [1-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/122410

  摘要：

  公开号：

文献信息

• 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。
• US8252792B2
  申请人：——

  公开号：US8252792B2

  公开（公告）日：2012-08-28