methyl 6-[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-1-isopropyl-1H-indole-3-carboxylate | 881408-71-5

• 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: methyl 6-[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-1-isopropyl-1H-indole-3-carboxylate
• 英文别名: methyl 6-[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]phenyl]-1-isopropyl-1H-indole-3-carboxylate；methyl 6-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]-1-propan-2-ylindole-3-carboxylate
• CAS: 881408-71-5
• 化学式: C₃₄H₃₉ClN₂O₅
• 分子量: 591.147
• InChiKey: MWEMPMCOWKTMEN-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-二氢-2H-吡喃 、 methyl 6-[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-1-isopropyl-1H-indole-3-carboxylate 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 methyl 6-[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]amino]ethyl]phenyl]-1-isopropyl-1H-indole-3-carboxylate
  参考文献：
  名称：

  [EN] AMINOALCOHOL DERIVATIVES
  [FR] DERIVES D'AMINOALCOOL

  摘要：

  本发明涉及一种具有以下结构的化合物[I]：其中（a）中的-Y-，R4，R5和R6分别如描述中定义，等等，R1为氢，卤素，低烷基，羟基等，R2为氢，低烷基或羟基（低）烷基，R3为氢或氨基保护基，R7为氢，低烷基，环（低）烷基，低R9烯基，-Z-R9或（b），其中-Z-为-0-，-S-，R9-SO-或-SO2-，每个R9独立地为氢，低烷基，环（低）烷基等，R8为-D-E-R10，其中-D-为-CONHSO2-或-S02NHCO-，E为键或低烷基，R10为卤素，氰基，羧基等，或其前药或盐。本发明的化合物[I]及其药学上可接受的盐对于预防和/或治疗溃疡，过度活跃的膀胱等疾病是有用的。

  公开号：

  WO2006033446A1

文献信息

• Aminoalcohol Derivatives
  申请人：Hattori Kouji

  公开号：US20080039506A1

  公开（公告）日：2008-02-14

  The present invention relates to a compound of the formula [I]: wherein (a), in which —Y—, R 4 , R 5 and R 6 are 4 R 5 each as defined in the description, etc., R 1 is hydrogen, halogen, lower alkyl, hydroxy, etc., R 2 is hydrogen, lower alkyl or hydroxy(lower)alkyl, R 3 is hydrogen or an amino protective group, 20 R7 is hydrogen, lower alkyl, cyclo(lower)alkyl, lower R9 alkenyl, -Z-R 9 or (b), in which -Z- is -0-, —S—, R 9 —SO— or —SO 2 —, and each R 9 is independently hydrogen, lower alkyl, cyclo(lower)alkyl, etc., and R 8 is -D-E-R , in which -D- is —CONHSO 2 — or —S0 2 NHCO—, E is bond or lower alkylene, and R 10 is halogen, cyano, carboxy, etc., or a prodrug thereof or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of ulcer, overactive bladder, and the like.

  本发明涉及一种式[I]的化合物：其中（a）中，-Y-，R4，R5和R6与描述中定义的4R5等同，R1为氢，卤素，较低的烷基，羟基等，R2为氢，较低的烷基或羟基（较低的）烷基，R3为氢或氨基保护基，R7为氢，较低的烷基，环（较低的）烷基，较低的烯基，-Z-R9或（b）中，-Z-为-0-，-S-，R9-SO-或-SO2-，每个R9都是独立的氢，较低的烷基，环（较低的）烷基等，R8为-D-E-R，其中-D-为-CONHSO2-或-S02NHCO-，E为键或较低的亚烷基，R10为卤素，氰基，羧基等，或其前药或盐。本发明的化合物[I]及其药学上可接受的盐对于预防和/或治疗溃疡，过度活跃的膀胱等具有用途。
• Aminoalcohol derivatives
  申请人：Astellas Pharma Inc.

  公开号：US07928264B2

  公开（公告）日：2011-04-19

  The present invention relates to a compound of the formula [I]: wherein (a), in which —Y—, R4, R5 and R6 are4 R5 each as defined in the description, etc., R1 is hydrogen, halogen, lower alkyl, hydroxy, etc., R2 is hydrogen, lower alkyl or hydroxy(lower)alkyl, R3 is hydrogen or an amino protective group, 20R7 is hydrogen, lower alkyl, cyclo(lower)alkyl, lower R9 alkenyl, —Z—R9 or (b), in which —Z— is —0—, —S—, R9 —SO— or —SO2—, and each R9 is independently hydrogen, lower alkyl, cyclo(lower)alkyl, etc., and R8 is -D-E-R10, in which -D- is —CONHSO2— or —S02NHCO—, E is bond or lower alkylene, and R10 is halogen, cyano, carboxy, etc., or a prodrug thereof or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of ulcer, overactive bladder, and the like.

  本发明涉及一种公式[I]的化合物：其中（a）中，其中-Y-、R4、R5和R6分别如描述中所定义，R1为氢、卤素、低烷基、羟基等，R2为氢、低烷基或羟基（低）烷基，R3为氢或氨基保护基，R7为氢、低烷基、环（低）烷基、低R9烯基，-Z-R9或（b）中，其中-Z-为-0-、-S-、R9-SO-或-SO2-，每个R9独立地为氢、低烷基、环（低）烷基等，R8为-D-E-R10，其中-D-为-CONHSO2-或-S02NHCO-，E为键或低烷基，R10为卤素、氰基、羧基等，或其前药或其盐。本发明的化合物[I]及其药学上可接受的盐对预防和/或治疗溃疡、过度活跃的膀胱等方面有用。
• AMINOALCOHOL DERIVATIVES
  申请人：Astellas Pharma Inc.

  公开号：EP1791811A1

  公开（公告）日：2007-06-06
• US7928264B2
  申请人：——

  公开号：US7928264B2

  公开（公告）日：2011-04-19