1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid | 939758-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid
• 英文别名: (3R*,4S*)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid；4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• CAS: 939758-01-7
• 化学式: C₁₆H₁₉Cl₂NO₄
• 分子量: 360.237
• InChiKey: YAFUFMBNEFTUBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid 、 (5R,7R)-5-methyl-4-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol dihydrochloride 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 tert-butyl 3-(3,4-dichlorophenyl)-4-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carbonyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  WO2008/6040

  摘要：

  公开号：

文献信息

• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• 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。
• PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS
  申请人：Mitchell S. Ian

  公开号：US20080058327A1

  公开（公告）日：2008-03-06

  The present invention provides compounds of Formula I, including tautomers, resolved enantiomers, diastereomers, solvates, metabolites, salts and pharmaceutically acceptable prodrugs thereof. 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.

  本发明提供了公式I的化合物，包括互变异构体、分离的对映异构体、非同构体、溶剂化物、代谢物、盐和其药学上可接受的前药。同时，本发明还提供了使用这些化合物作为AKT蛋白激酶抑制剂以及治疗癌症等增生性疾病的方法。
• 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。
• Pyrimidyl cyclopentanes as AKT protein kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US08003651B2

  公开（公告）日：2011-08-23

  The present invention provides compounds of Formula I, including tautomers, resolved enantiomers, diastereomers, solvates, metabolites, salts and pharmaceutically acceptable prodrugs thereof. 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I式化合物，包括互变异构体、已分离对映异构体、非同构体、溶剂化物、代谢产物、盐及其药学上可接受的前药。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癌症等高增殖性疾病的方法。