(2S,4R)-1-(2,2-diphenylethanoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester | 178866-95-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,4R)-1-(2,2-diphenylethanoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester
• 英文别名: (2S,4R)-methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate；methyl (2S,4R)-1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
• CAS: 178866-95-0
• 化学式: C₂₀H₂₁NO₄
• 分子量: 339.391
• InChiKey: ZBZQGLVQLFGDQW-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  (2S,4R)-1-(2,2-diphenylethanoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester 在 sodium cyanoborohydride 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基乙酰胺 、 二甲基亚砜 、 乙腈 为溶剂， 反应 3.0h， 生成 methyl (2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(3-phenylpropyl)amino]pyrrolidine-2-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS POUR LEUR UTILISATION

  摘要：

  本发明涉及用于拮抗血管紧张素II型2（AT2）受体的杂环化合物。更具体地，本发明涉及吡咯烷和氮杂环丙烷化合物，含有它们的组合物以及它们在治疗或预防与AT2受体功能相关的疾病或疾病的方法中的使用，包括神经病性疼痛、炎症性疼痛、与神经元过敏、神经传导速度受损、细胞增殖紊乱、骨吸收和骨形成之间失衡以及与异常神经再生相关的疾病。

  公开号：

  WO2013102242A1
• 作为产物：
  描述：

  L-羟基脯氨酸 在 氯化亚砜 作用下， 反应 9.5h， 生成 (2S,4R)-1-(2,2-diphenylethanoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS POUR LEUR UTILISATION

  摘要：

  本发明涉及用于拮抗血管紧张素II型2（AT2）受体的杂环化合物。更具体地，本发明涉及吡咯烷和氮杂环丙烷化合物，含有它们的组合物以及它们在治疗或预防与AT2受体功能相关的疾病或疾病的方法中的使用，包括神经病性疼痛、炎症性疼痛、与神经元过敏、神经传导速度受损、细胞增殖紊乱、骨吸收和骨形成之间失衡以及与异常神经再生相关的疾病。

  公开号：

  WO2013102242A1

文献信息

• Pyrrolidine derivatives as angiotensin II type 2 antagonists
  申请人：NOVARTIS AG

  公开号：US10065943B2

  公开（公告）日：2018-09-04

  The invention relates to heterocyclic angiotensin II type 2 (AT2) receptor antagonists of formula (I), and pharmaceutically acceptable salts thereof, ((I) in which all of the variables are as defined in the specification, pharmaceutical compositions thereof, combinations thereof, and their use as medicaments, particularly for the treatment of neuropathic or inflammatory pain.

  本发明涉及式（I）的杂环血管紧张素 II 2 型（AT2）受体拮抗剂及其药学上可接受的盐（（I）中所有变量均如说明书中所定义）、其药物组合物、其组合物及其作为药物的用途，特别是用于治疗神经性或炎症性疼痛。
• Heterocyclic compounds and methods of their use
  申请人：NOVARTIS AG

  公开号：US10370388B2

  公开（公告）日：2019-08-06

  The present invention relates to heterocyclic compounds useful for antagonizing angiotensin II Type 2 (AT2) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.

  本发明涉及可用于拮抗血管紧张素 II 2 型（AT2）受体的杂环化合物。更具体地说，本发明涉及吡咯烷和氮杂环丁烷化合物、含有它们的组合物及其在治疗或预防与 AT2 受体功能有关的紊乱或疾病的方法中的用途，这些紊乱或疾病包括神经性疼痛、炎症性疼痛、与神经元超敏性有关的病症、神经传导速度受损、细胞增殖紊乱、与骨吸收和骨形成失衡有关的紊乱以及与神经再生异常有关的紊乱。
• PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS
  申请人：Novartis AG

  公开号：EP3245198B1

  公开（公告）日：2020-03-11
• Heterocyclic Compounds and Methods of Their Use
  申请人：Spinifex Pharmaceuticals Pty Ltd

  公开号：US20140378430A1

  公开（公告）日：2014-12-25

  The present invention relates to heterocyclic compounds useful for antagonising angiotensin II Type 2 (AT 2 ) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT 2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.
• HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE
  申请人：NOVARTIS AG

  公开号：US20170145032A1

  公开（公告）日：2017-05-25

  The present invention relates to heterocyclic compounds useful for antagonising angiotensin II Type 2 (AT 2 ) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT 2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.