tert-butyl 4-(4-chloro-3-fluorophenyl)-4-(1-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-4-carbonyl)piperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-(4-chloro-3-fluorophenyl)-4-(1-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-4-carbonyl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(4-chloro-3-fluorophenyl)-4-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
• 化学式: C₂₉H₃₇ClFN₅O₄
• 分子量: 574.095
• InChiKey: BIPOLYLDYWRYTA-XMSQKQJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-chloro-3-fluorophenyl)-4-(1-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-4-carbonyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以84%的产率得到(4-(4-chloro-3-fluorophenyl)piperidin-4-yl)(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)methanone
  参考文献：
  名称：

  WO2008/6040

  摘要：

  公开号：
• 作为产物：
  描述：

  (R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine 在 盐酸 、 lithium hydroxide 、 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N-甲基吡咯烷酮 、 二氯甲烷 、 氯仿 为溶剂， 反应 92.33h， 生成 tert-butyl 4-(4-chloro-3-fluorophenyl)-4-(1-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-4-carbonyl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/6040

  摘要：

  公开号：

文献信息

• HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS
  申请人：Mitchell S. Ian

  公开号：US20080051399A1

  公开（公告）日：2008-02-28

  The present invention provides compounds, including resolved enantiomers, resolved diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula I: Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

  本发明提供了化合物，包括分离的对映体、分离的顺反异构体、溶剂化物和其药学上可接受的盐，其中包括公式I: 同时，本发明还提供了使用该化合物作为AKT蛋白激酶抑制剂以及治疗高增殖性疾病，如癌症的方法。
• Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US08063050B2

  公开（公告）日：2011-11-22

  The present invention provides compounds, including resolved enantiomers, resolved diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula I: Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

  本发明提供了化合物，包括已分离的对映体、已分离的非对映异构体、溶剂化物和其药学上可接受的盐，其化学式为I：同时，还提供了使用本发明化合物作为AKT蛋白激酶抑制剂和治疗癌症等增殖性疾病的方法。
• Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors
  申请人：Array Biopharma, Inc.

  公开号：EP2399909A1

  公开（公告）日：2011-12-28

  The present invention provides compounds, including resolved enantiomers, resolved diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula I: Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer. Further provided are method of synthesis of these compounds and intermediates in the synthesis process.

  本发明提供了由式 I 组成的化合物，包括已解析的对映体、已解析的非对映体、溶 剂及其药学上可接受的盐： 本发明还提供了将本发明化合物用作 AKT 蛋白激酶抑制剂和治疗过度增殖性疾病（如癌症）的方法。进一步提供了这些化合物的合成方法和合成过程中的中间体。
• Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors
  申请人：Array Biopharma, Inc.

  公开号：EP2402325A2

  公开（公告）日：2012-01-04

  The present invention provides compounds, including resolved enantiomers, resolved diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula I: Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer. Further provided are method of synthesis of these compounds and intermediates in the synthesis process.

  本发明提供了由式 I 组成的化合物，包括已解析的对映体、已解析的非对映体、溶 剂及其药学上可接受的盐： 本发明还提供了将本发明化合物用作 AKT 蛋白激酶抑制剂和治疗过度增殖性疾病（如癌症）的方法。进一步提供了这些化合物的合成方法和合成过程中的中间体。
• US09359340B2
  申请人：——

  公开号：——

  公开（公告）日：——