4-((1R,3S)-3-fluorocyclopentyl)benzoic acid | 936541-37-6

• 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: 4-((1R,3S)-3-fluorocyclopentyl)benzoic acid
• 英文别名: 4-[(1R,3S)-3-fluorocyclopentyl]benzoic acid
• CAS: 936541-37-6
• 化学式: C₁₂H₁₃FO₂
• 分子量: 208.232
• InChiKey: YQMXJEXZXZWZRL-MNOVXSKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists
  申请人：Hale Jeffrey John

  公开号：US20090042954A1

  公开（公告）日：2009-02-12

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P 1 /Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖I式化合物，以及其药学上可接受的盐。这些化合物是S1P1 / Edg1受体激动剂，因此通过调节白细胞移行，将淋巴细胞隔离在二次淋巴组织中，并增强血管完整性，具有免疫抑制，抗炎和止血活性。本发明还涉及含有这些化合物的制药组合物和治疗或预防的方法。
• 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1804793A2

  公开（公告）日：2007-07-11
• US7659294B2
  申请人：——

  公开号：US7659294B2

  公开（公告）日：2010-02-09
• [EN] 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS<br/>[FR] CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES 2-(ARYL)AZACYCLYLMETHYLE ET HETEROCYCLES UTILISES COMME AGONISTES DES RECEPTEURS S1P
  申请人：MERCK & CO INC

  公开号：WO2006047195A2

  公开（公告）日：2006-05-04

  [EN] The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P₁/Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.
  [FR] L'invention concerne des composés représentés par la formule (I) ainsi que des sels de ceux-ci pharmaceutiquement acceptables. Ces composés sont des agonistes du récepteur S1P₁/Edg1 et possèdent donc des activités immunosuppressives, anti-inflammatoires et hémostatiques par modulation du trafic des leucocytes, séquestration de ces lymphocytes dans des tissus lymphoïdes secondaires et amélioration de l'intégrité vasculaire. L'invention concerne également des compositions pharmaceutiques contenant ces composés et des méthodes de traitement ou de prévention.