(2R)-[(3R,4S)-3-{[3-endo-(1H-Benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]methyl}-4-(3-fluorophenyl)pyrrolidin-1-yl](cyclohexyl)ethanoic acid | 478924-85-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: (2R)-[(3R,4S)-3-{[3-endo-(1H-Benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]methyl}-4-(3-fluorophenyl)pyrrolidin-1-yl](cyclohexyl)ethanoic acid
• CAS: 478924-85-5
• 化学式: C₃₃H₄₁FN₄O₂
• 分子量: 544.713
• InChiKey: HFFZFOKYHJUWJL-JUYMRIHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.09
• 重原子数：
  40.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  61.6
• 氢给体数：
  1.0
• 氢受体数：
  5.0

文献信息

• Pyrrolidine modulators of CCR5 chemokine receptor activity
  申请人：——

  公开号：US20020198178A1

  公开（公告）日：2002-12-26

  Pyrrolidine compounds of Formula I: 1 (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8a , R 8b , j, k, l, m, and n are defined herein) are described. The compounds are modulators of CCR5 chemokine receptor activity. The compounds are useful, for example, in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  本文描述了式I:1中的吡咯烷化合物（其中R1、R2、R3、R4、R5、R6、R7、R8a、R8b、j、k、l、m和n在此处定义）。这些化合物是CCR5趋化因子受体活性的调节剂。这些化合物可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药物可接受的盐或作为药物组成部分，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。本文还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• US6531484B2
  申请人：——

  公开号：US6531484B2

  公开（公告）日：2003-03-11
• [EN] METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT D'INFECTIONS DE TYPE CHOC CYTOKINIQUE, NOTAMMENT LA COVD-19, PAR INHIBITION DE L'INTERACTION CCR5/CCL5
  申请人：INCELLDX INC

  公开号：WO2021222069A1

  公开（公告）日：2021-11-04

  Methods of treating a subject suffering from COVID-19 are provided. Aspects of the methods including administering to the subject an effective amount of an inhibitor of CCR5/CCL5 interaction, such as a CCR5 antagonist. Also provided are methods of assessing severity of a disease involving hypercytokinemia, such as COVID-19, by determining the level of CCL5/RANTES in a subject, as well as compositions for use in such methods.