(2S)-N2-{(3S)-1-[4-Methoxyquinolin-2-ylcarbonyl]pyrrolidin-3-yl}-1-(1,3-benzoxazol-2-yl)-2-piperidinecarboxamide | 256526-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2S)-N2-{(3S)-1-[4-Methoxyquinolin-2-ylcarbonyl]pyrrolidin-3-yl}-1-(1,3-benzoxazol-2-yl)-2-piperidinecarboxamide
• 英文别名: (2S)-1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(4-methoxyquinoline-2-carbonyl)pyrrolidin-3-yl]piperidine-2-carboxamide
• CAS: 256526-36-0
• 化学式: C₂₈H₂₉N₅O₄
• 分子量: 499.569
• InChiKey: NXQLLSGAZNBSMS-MBSDFSHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES
  申请人：Pfizer Limited

  公开号：EP1100797A1

  公开（公告）日：2001-05-23
• US6372736B1
  申请人：——

  公开号：US6372736B1

  公开（公告）日：2002-04-16
• US6562964B1
  申请人：——

  公开号：US6562964B1

  公开（公告）日：2003-05-13
• [EN] HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES<br/>[FR] COMPOSES HETEROCYCLIQUES INHIBITEURS D'ENZYMES ROTAMASE
  申请人：PFIZER LTD

  公开号：WO2000005232A1

  公开（公告）日：2000-02-03

  Compounds of the formula (I) wherein A is unbranched C3-C5 alkylene optionally substituted by C1-C6 alkyl; X is O, S, NH or N(C1-C6 alkyl); Y is O, S, NH or N(C1-C6 alkyl); R is a C-linked, 4- to 6-membered ring, non-aromatic, heterocyclic group containing one nitrogen heteroatom, said group being optionally substituted by 1, 2 or 3 substituent(s) each independently selected from C1-C6 alkyl, C2-C6 alkenyl, C3-C7 cycloalkyl, aryl, het, -CO2(C1-C6 alkyl), -CO(het), -CONR5R6 and -CO(aryl), said alkyl and alkenyl being optionally substituted by 1 or 2 substituent(s) each independently selected from C3-C7 cycloalkyl, aryl, het, -O(aryl), -O(C1-C2 alkylene) aryl, -CO(het), -CONR5R6 and -CO(aryl); are inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders involving nerve damage.