(S)-2-hydroxy-1-(4-((7-morpholino-5-(quinolin-3-yl)thiazolo[5,4-d]pyrimidin-2-yl)methyl)piperazin-1-yl)propan-1-one | 1137277-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (S)-2-hydroxy-1-(4-((7-morpholino-5-(quinolin-3-yl)thiazolo[5,4-d]pyrimidin-2-yl)methyl)piperazin-1-yl)propan-1-one
• 英文别名: (2S)-2-hydroxy-1-[4-[(7-morpholin-4-yl-5-quinolin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)methyl]piperazin-1-yl]propan-1-one
• CAS: 1137277-84-9
• 化学式: C₂₆H₂₉N₇O₃S
• 分子量: 519.627
• InChiKey: KMKVSCJQCXIOFU-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-[4-(5-Chloro-7-morpholin-4-yl-thiazolo[5,4-d]pyrimidin-2-ylmethyl)-piperazin-1-yl]-2-hydroxy-propan-1-one 、 3-喹啉硼酸频哪醇酯 以to yield 43.5 mg of 106的产率得到(S)-2-hydroxy-1-(4-((7-morpholino-5-(quinolin-3-yl)thiazolo[5,4-d]pyrimidin-2-yl)methyl)piperazin-1-yl)propan-1-one
  参考文献：
  名称：

  THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  公式Ia和Ib的化合物，包括立体异构体，几何异构体，互变异构体，溶剂化物，代谢物和药学上可接受的盐，对于抑制脂质激酶包括PI3K，以及治疗由脂质激酶介导的癌症等疾病是有用的。揭示了使用公式Ia和Ib的化合物在哺乳动物细胞中进行体外，原位和体内诊断，预防或治疗此类疾病或相关病理条件的方法。

  公开号：

  US20090118275A1

文献信息

• [EN] THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS INHIBITEURS DE LA PI3K À BASE DE THIAZOLOPYRIMIDINE
  申请人：GENENTECH INC

  公开号：WO2009042607A1

  公开（公告）日：2009-04-02

  Compounds of Formulas (Ia and Ib), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化合物的公式（Ia和Ib），包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和其药用可接受的盐，可用于抑制包括PI3K在内的脂质激酶，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用公式Ia和Ib的化合物进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这种疾病或相关病理状况的方法。
• Thiazolopyrimidine PI3K inhibitor compounds and methods of use
  申请人：Genentech, Inc.

  公开号：US07893059B2

  公开（公告）日：2011-02-22

  Compounds of Formulas Ia and Ib, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化学式Ia和Ib的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢产物和药学上可接受的盐，对于抑制脂质激酶，包括PI3K，以及治疗由脂质激酶介导的癌症等疾病是有用的。本文披露了使用化学式Ia和Ib的化合物用于哺乳动物细胞中体外、体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Castanedo Georgette M.

  公开号：US20110112085A1

  公开（公告）日：2011-05-12

  Compounds of Formulas Ia and Ib, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化学式Ia和Ib的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，可用于抑制脂质激酶包括PI3K，并用于治疗由脂质激酶介导的癌症等疾病。本文揭示了使用化合物Ia和Ib的方法，用于哺乳动物细胞中的体外、原位和体内诊断、预防或治疗此类疾病或相关病理条件。
• US7893059B2
  申请人：——

  公开号：US7893059B2

  公开（公告）日：2011-02-22
• US8158626B2
  申请人：——

  公开号：US8158626B2

  公开（公告）日：2012-04-17