N-((S)-1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-6-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-3-chloro-5,5-difluoro-3b,4,4a,5-tetrahydro-2H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-2-yl)acetamide

• 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: N-((S)-1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-6-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-3-chloro-5,5-difluoro-3b,4,4a,5-tetrahydro-2H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-2-yl)acetamide
• 英文别名: 2-[(2S,4R)-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]-N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]acetamide
• 化学式: C₃₆H₃₁Cl₂F₄N₇O₄S
• 分子量: 804.652
• InChiKey: OYNCRIWOXGHJLW-GSLIJJQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  54
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-((3bS,4aR)-3-chloro-4,4a-dihydrospiro[cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-5,2’-[1,3]dithiolane]-2(3bH)-yl)acetic acid 在 N-碘代丁二酰亚胺 、 氢氟酸 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 吡啶 、 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 1.75h， 生成 N-((S)-1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-6-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-3-chloro-5,5-difluoro-3b,4,4a,5-tetrahydro-2H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-2-yl)acetamide
  参考文献：
  名称：

  [EN] AMIDE COMPOUNDS FOR THE TREATMENT OF HIV
  [FR] COMPOSÉS THÉRAPEUTIQUES

  摘要：

  公开号：

  WO2014134566A3

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20140303164A1

  公开（公告）日：2014-10-09

  Compounds of formula I: or salts thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  公开了化学式I的化合物或其盐。还公开了包含化学式I化合物的药物组合物，制备化学式I化合物的方法，用于制备化学式I化合物的中间体以及治疗反转录病毒感染的治疗方法，包括由HIV病毒引起的感染。
• AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS
  申请人：Gilead Sciences, Inc.

  公开号：EP3409667A1

  公开（公告）日：2018-12-05

  Compounds of formula (IIId) or salts thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a compound of formula IIId, processes for preparing compounds of formula IIId, intermediates useful for preparing compounds of formula IIId and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明公开了式(IIId)化合物或其盐类。还公开了包含式 IIId 化合物的药物组合物、制备式 IIId 化合物的工艺、用于制备式 IIId 化合物的中间体以及治疗逆转录病毒科病毒感染（包括 HIV 病毒引起的感染）的治疗方法。
• AMIDE COMPOUNDS FOR THE TREATMENT OF HIV
  申请人：Gilead Sciences, Inc.

  公开号：EP2961742B1

  公开（公告）日：2018-08-01
• US9951043B2
  申请人：——

  公开号：US9951043B2

  公开（公告）日：2018-04-24
• [EN] THERAPEUTIC COMPOUNDS<br/>[FR] COMPOSÉS THÉRAPEUTIQUES
  申请人：GILEAD SCIENCES INC

  公开号：WO2014134566A2

  公开（公告）日：2014-09-04

  Compounds of formula (I) or salts thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.