(S)-1-methyl-piperazine-2-carboxylic acid methyl ester | 939983-64-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-1-methyl-piperazine-2-carboxylic acid methyl ester
• 英文别名: methyl (2S)-1-methylpiperazine-2-carboxylate
• CAS: 939983-64-9
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: XJZSEVGWLANZJK-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride 、 (S)-1-methyl-piperazine-2-carboxylic acid methyl ester 生成 (S)-4-[(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-1-methyl-piperazine-2-carboxylic acid methyl ester
  参考文献：
  名称：

  4,4,5,5, tetrasubstituted imidazolines

  摘要：

  提供了一个公式I的化合物及其药学上可接受的盐和酯，其中X1、X2、R1、R2、R3、R4、R5和R6在此描述。这些化合物表现出抗癌剂的活性。

  公开号：

  US07851626B2

文献信息

• 4,4,5,5, Tetrasubstituted imidazolines
  申请人：Ding Qingjie

  公开号：US20070129416A1

  公开（公告）日：2007-06-07

  There is provided a compound of formula I and the pharmaceutically acceptable salts and esters thereof wherein X 1 , X 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are herein described. The compounds exhibit activity as anticancer agents.

  提供了一种公式I的化合物以及其药用可接受的盐和酯，其中X1，X2，R1，R2，R3，R4，R5和R6如本文所述。这些化合物作为抗癌药物表现活性。
• Zwitterionic tachykinin receptor antagonists
  申请人：——

  公开号：US20020042431A1

  公开（公告）日：2002-04-11

  The present invention is directed to certain novel compounds represented by structural formula I: 1 or a pharmaceutically acceptable salt thereof, wherein R 3 , R 5 , R 6 , R 7 , R 8 , R 11 , R 12 R 13 , Q, W, X, Y and Z are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are tachykinin receptor antagonists and are useful in the treatment of psychiatric disorders including depression and anxiety.

  本发明涉及由结构式I：1所代表的某些新化合物或其药用可接受的盐，其中R3、R5、R6、R7、R8、R11、R12、R13、Q、W、X、Y和Z在此定义。该发明还涉及含有这些新化合物作为活性成分的药物配方，以及该新化合物及其配方在治疗某些疾病中的用途。本发明的化合物是催吐肽受体拮抗剂，可用于治疗包括抑郁症和焦虑症在内的精神障碍。
• 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2130822A1

  公开（公告）日：2009-12-09

  The present invention relates to compounds of formula I and the pharmaceutically acceptable salts and esters thereof wherein X1, X2, R1, R2, R3, R4, R5 and R6 are defined as in claim. The compounds exhibit activity as anticancer agents.

  本发明涉及式 I 的化合物 及其药学上可接受的盐和酯，其中 X1、X2、R1、R2、R3、R4、R5 和 R6 的定义如权利要求所述。这些化合物具有抗癌活性。
• 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2311814A1

  公开（公告）日：2011-04-20

  There is provided a compound of formula I and the pharmaceutically acceptable salts and esters thereof wherein X1, X2, R1, R2, R3, R4, R5 and R6 are herein described. The compounds exhibit activity as anticancer agents.

  提供了一种式 I 的化合物 及其药学上可接受的盐和酯，其中 X1、X2、R1、R2、R3、R4、R5 和 R6 如本文所述。这些化合物具有抗癌活性。
• ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1322596B1

  公开（公告）日：2007-08-15