N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)5,5a,6,6a-tetrahydro-1H-cyclopropa[4,5]pyrano[3,2-c]pyrazol-1-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)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)5,5a,6,6a-tetrahydro-1H-cyclopropa[4,5]pyrano[3,2-c]pyrazol-1-yl)acetamide
• 英文别名: N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-1H-cyclopropa[4,5]pyrano[3,2-c]pyrazol-1-yl)acetamide；N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[3-(methanesulfonamido)-1-methylindazol-7-yl]pyridin-2-yl]ethyl]-2-[8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-10-yl]acetamide
• 化学式: C₃₇H₃₄F₅N₇O₅S
• 分子量: 783.779
• InChiKey: MBJDCNQINPVSOS-IYJQTNKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  55
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  162
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (S)-N-(1-(3,5-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide 、 2-(3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-1H-cyclopropa[4,5]pyrano[3,2-c]pyrazol-1-yl)acetic acid 、 (S)-N-(7-(2-(1-amino-2-(3,5-difluorophenyl)ethyl)-6-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridin-3-yl)-1-methyl-1H-indazol-3-yl)methanesulfonamide 生成 N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)5,5a,6,6a-tetrahydro-1H-cyclopropa[4,5]pyrano[3,2-c]pyrazol-1-yl)acetamide
  参考文献：
  名称：

  THERAPEUTIC COMPOUNDS

  摘要：

  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。

  公开号：

  US20140303164A1

文献信息

• 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.