2-(2-Bromo-5-methoxyphenyl)-1-[[3-cyclohexyl-6-(dimethylsulfamoylcarbamoyl)indol-1-yl]methyl]cyclopropane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(2-Bromo-5-methoxyphenyl)-1-[[3-cyclohexyl-6-(dimethylsulfamoylcarbamoyl)indol-1-yl]methyl]cyclopropane-1-carboxylic acid
• 英文别名: 2-(2-bromo-5-methoxyphenyl)-1-[[3-cyclohexyl-6-(dimethylsulfamoylcarbamoyl)indol-1-yl]methyl]cyclopropane-1-carboxylic acid
• 化学式: C₂₉H₃₄BrN₃O₆S
• 分子量: 632.6
• InChiKey: XRXQZDYYBYWGSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5A-((1 R,5S) -3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE<br/>[FR] NOUVEAUX PROCÉDÉS ET INTERMÉDIAIRES POUR LA PRÉPARATION DE |(4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMÉTHYLSULFAMOYL)-3-|MÉTHOXY-5A-((1R,5S)-3-MÉTHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,|6-TÉTRA- HYDROBENZO[3,4]CYCLOPROPA[5,6]AZÉPINO[1,2-A]INDOLE-9-CARBOXAMIDE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014014885A1

  公开（公告）日：2014-01-23

  The present invention provides methods and intermediates for the preparation of (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide (formula I), including pharmaceutically acceptable salts. The compound has activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  本发明提供了制备(1aR,12bS)-8-环己基-11-氟-N-((1-甲基环丙基)磺酰基)-1a-((3-甲基-3,8-二氮杂双环[3.2.1]辛-8-基)羰基)-1,1a,2,12b-四氢-环丙基吲哚[2,1-a][2]苯并蒽啉-5-羧酰胺（化学式I）的方法和中间体，包括药用可接受的盐。该化合物对丙型肝炎病毒（HCV）具有活性，可能对感染HCV的患者有治疗作用。
• NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4bS,5aR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5a-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4b,5,5a,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150133654A1

  公开（公告）日：2015-05-14

  The present invention provides methods and intermediates for the preparation of (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide (formula I), including pharmaceutically acceptable salts. The compound has activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  本发明提供了制备(1aR,12bS)-8-环己基-11-氟-N-((1-甲基环丙基)磺酰基)-1a-((3-甲基-3,8-二氮杂双环[3.2.1]辛-8-基)羰基)-1,1a,2,12b-四氢环丙并[2,1-a][2]苯并氮杂环己烷-5-羧酰胺（式I）的方法和中间体，包括药学上可接受的盐。该化合物对丙型肝炎病毒（HCV）具有活性，可能有助于治疗HCV感染者。
• NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5A-((1 R,5S) -3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE
  申请人：Bristol-Myers Squibb Holdings Ireland

  公开号：EP2875030A1

  公开（公告）日：2015-05-27
• METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE
  申请人：Bristol-Myers Squibb Holdings Ireland

  公开号：EP2875030B1

  公开（公告）日：2016-10-26
• US9556204B2
  申请人：——

  公开号：US9556204B2

  公开（公告）日：2017-01-31