2-((3bS,4aR)-5 ,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(4-methylpiperazine-1-sulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)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: 2-((3bS,4aR)-5 ,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(4-methylpiperazine-1-sulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamide
• 英文别名: 2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(4-methylpiperazine-1-sulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamide；N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[1-methyl-3-[(4-methylpiperazin-1-yl)sulfonylamino]indazol-7-yl]pyridin-2-yl]ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide
• 化学式: C₄₁H₄₀F₇N₉O₄S
• 分子量: 887.881
• InChiKey: ITRVMCAWMRADMZ-YPKYBTACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  62
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  159
• 氢给体数：
  3
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetic acid 在 吡啶 、 氯化亚砜 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 1.33h， 生成 2-((3bS,4aR)-5 ,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(4-methylpiperazine-1-sulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)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.