4-(R)-[1-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-2-(R)-(4-fluoro-2-methyl-phenyl)-piperidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester | 414910-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(R)-[1-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-2-(R)-(4-fluoro-2-methyl-phenyl)-piperidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[(2R,4R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]piperazine-1-carboxylate
• CAS: 414910-17-1
• 化学式: C₃₂H₃₉F₇N₄O₃
• 分子量: 660.675
• InChiKey: XRXFEOHQFCFFBI-XNMGPUDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide 、 N-Boc-哌嗪 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.5h， 生成 4-(R)-[1-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-2-(R)-(4-fluoro-2-methyl-phenyl)-piperidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester 、 4-(S)-[1-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-2-(R)-(4-fluoro-2-methyl-phenyl)-piperidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Chemical compounds

  摘要：

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。

  公开号：

  US20040014770A1

文献信息

• Piperidine derivatives and their use as antagonists of tachykinins
  申请人：Alvaro Giuseppe

  公开号：US20050096313A1

  公开（公告）日：2005-05-05

  The present invention relates to piperidine derivatives of formula (I): wherein R represents halogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents hydrogen, C 1-4 alkyl; R 3 represents hydrogen, C 1-4 alkyl; R 4 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 5 represents hydrogen, C 1-4 alkyl, C 3-7 cycloalkyl, C(O)R 6 or S(O) 2 R 6 ; R 6 represents C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; p is an integer from 1 to 2; X and Y are independently C(O) or CH 2 ; provided that i) X and Y are not both C(O) and ii) when X and Y are both CH 2 and p is 1, R 5 is not hydrogen, C 1-4 alkyl or C(O)R 6 ; and pharmaceutically acceptable salts and solvates thereof, the process for their preparation and their use in the treatment of conditions mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中R代表卤素或C1-4烷基；R1代表氢或C1-4烷基；R2代表氢，C1-4烷基；R3代表氢，C1-4烷基；R4代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R5代表氢，C1-4烷基，C3-7环烷基，C（O）R6或S（O）2R6；R6代表C1-4烷基或C3-7环烷基；m为零或1至3的整数；n为1至3的整数；p为1至2的整数；X和Y分别为C（O）或CH2；前提是i）X和Y不都是C（O）；以及ii）当X和Y都是CH2且p为1时，R5不是氢，C1-4烷基或C（O）R6；以及其药学上可接受的盐和溶剂合物，其制备过程及其在治疗缓解性肽介导的疾病中的用途。
• US7276509B2
  申请人：——

  公开号：US7276509B2

  公开（公告）日：2007-10-02
• Chemical compounds
  申请人：——

  公开号：US20040014770A1

  公开（公告）日：2004-01-22

  Formula (1) wherein R represents a halogen atom or a C 1-4 alkyl group; R 1 represents a C 1-4 alkyl group; R 2 represents hydrogen or a C 1-4 alkyl group; R 3 represents hydrogen, or a C 1-4 alkyl group; R 4 represents a trifluorometyl group; R 5 represents hydrogen, a C 1-4 alkyl group or C(0)R 6 ; R 6? represents C 1-4 alkyl, C 3-7 cycloalkyl, NH(C 1-4 alkyl) or N(C1-4alkyl) 2 ; m is zero or an integer from 1 to 3; n is an integer from 1 to 3 and pharmaceutically acceptable salts and solvates thereof; to processes for their preparation and their use in the treatment of conditions mediated bytachykinins.

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。