1-{[4-(1,1-dimethylethyl)-3-(methyloxy)phenyl]carbonyl}-4-[(ethyloxy)carbonyl]-2-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxylic acid | 790226-30-1

• 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: 1-{[4-(1,1-dimethylethyl)-3-(methyloxy)phenyl]carbonyl}-4-[(ethyloxy)carbonyl]-2-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxylic acid
• 英文别名: 1-(4-tert-butyl-3-methoxybenzoyl)-4-ethoxycarbonyl-2-(2-methylpropyl)-3H-indole-2-carboxylic acid
• CAS: 790226-30-1
• 化学式: C₂₈H₃₅NO₆
• 分子量: 481.589
• InChiKey: ZOVNDTVRLUQOEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] ACYLATED INDOLINE AND TETRAHYDROQUINOLINE DERIVATIVES AS HCV INHIBITORS<br/>[FR] DERIVES ACYLES D'INDOLINES ET DE TETRAHYDROQUINOLEINES CONSTITUANT DES INHIBITEURS DU VHC
  申请人：GLAXO GROUP LTD

  公开号：WO2004096210A1

  公开（公告）日：2004-11-11

  Use of a compound of Formula (I) : wherein: R1 represents hydroxy or NR BRC; R2 represents C1-6alkyl, heterocyclylalkyl, arylalkyl or heteroarylalkyl; R3 represents aryl or heteroaryl; R4 represents one or two substituents independently selected from hydrogen, C1-6alkyl, halo, ORA, C(O)NRBRC, C(O)RD, CO2H , CO2RD, NRBRC, NREC(O)RD, NRECO2RD, NREC(O)NRFRG, NRESO2RD, SO2NRFRG, SO2RD, nitro, cyano, heterocyclyl, heteroaryl, aryl, arylalkyl heteroarylalkyl or CF3; R5 and R6 independently represent hydrogen, C1-6alkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl; R7 and R8 independently represent hydrogen, C1-6alkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl; n represents 0 or 1; RA represents hydrogen, C1-6alkyl, arylalkyl, heteroarylalkyl, aryl or heteroaryl; RB and RC independently represent hydrogen, C1-6alkyl, aryl or heteroaryl; or RB and RC together with the nitrogen atom to which they are attached form a 5 or 6 membered saturated cyclic group; RD is selected from the group consisting of C1-6alkyl, aryl, heteroaryl, arylalkyl, and heteroarylalkyl; RE represents hydrogen or C1-6alkyl; RF and RG are independently selected from the group consisting of hydrogen, C1-6alkyl, aryl, heteroaryl, arylalkyl, and heteroarylalkyl; or RF and RG together with the nitrogen atom to which they are attached form a 5 or 6 membered saturated cyclic group; and salts, solvates and esters thereof; provided that when R1 is esterified to form -OR where R is selected from straight or branched chain alkyl, aralkyl, aryloxyalkyl, or aryl, then R is other than tert-butyl; in the manufacture of a medicament for the treatment of viral infection is provided. Also provided are certain novel compounds of Formula (I) represented by Formula (Ib). Further provided are processes for the preparation of compounds of Formula (I), pharmaceutical compositions comprising them, and methods of using them in HCV treatment.

  使用公式（I）的化合物：其中：R1代表羟基或NRBRC; R2代表C1-6烷基，杂环烷基烷基，芳基烷基或杂芳基烷基; R3代表芳基或杂芳基; R4代表一个或两个取代基，独立地选自氢，C1-6烷基，卤素，ORA，C（O）NRBRC，C（O）RD，CO2H，CO2RD，NRBRC，NREC（O）RD，NRECO2RD，NREC（O）NRFRG，NRESO2RD，SO2NRFRG，SO2RD，硝基，氰基，杂环烷基，杂芳基，芳基，芳基烷基，杂芳基烷基或CF3; R5和R6独立地表示氢，C1-6烷基，芳基，杂芳基，芳基烷基或杂芳基烷基; R7和R8独立地表示氢，C1-6烷基，芳基，杂芳基，芳基烷基或杂芳基烷基; n表示0或1; RA表示氢，C1-6烷基，芳基烷基，杂芳基烷基，芳基或杂芳基; RB和RC独立地表示氢，C1-6烷基，芳基或杂芳基; 或RB和RC与它们附着的氮原子一起形成5或6个成员的饱和环状基团; RD选自C1-6烷基，芳基，杂芳基，芳基烷基和杂芳基烷基; RE表示氢或C1-6烷基; RF和RG独立地选自氢，C1-6烷基，芳基，杂芳基，芳基烷基和杂芳基烷基; 或RF和RG与它们附着的氮原子一起形成5或6个成员的饱和环状基团; 以及其盐，溶剂化合物和酯; 假设当R1酯化形成-OR时，其中R选自直链或支链烷基，芳基烷基，芳氧烷基或芳基，那么R不是叔丁基; 提供用于制造用于治疗病毒感染的药物的方法。还提供由公式（Ib）表示的公式（I）的某些新化合物。还提供制备公式（I）化合物的方法，包括它们的制药组合物以及在HCV治疗中使用它们的方法。