4-(2-nitro-1-thiophen-2-yl-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester | 857681-47-1

• 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-(2-nitro-1-thiophen-2-yl-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
• 英文别名: 1-O-tert-butyl 4-O-ethyl 4-(2-nitro-1-thiophen-2-ylethyl)piperidine-1,4-dicarboxylate
• CAS: 857681-47-1
• 化学式: C₁₉H₂₈N₂O₆S
• 分子量: 412.507
• InChiKey: PKTQXLJDFISVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(2-nitro-1-thiophen-2-yl-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester 在 溶剂黄146 、 锌 作用下， 反应 3.0h， 以29%的产率得到4-(2-amino-1-thiophen-2-yl-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
  参考文献：
  名称：

  Diaza-spiropiperidine derivatives

  摘要：

  本发明涉及以下式的化合物 其中 A—B，R 1 ，R 2 ， R 3 ，R 4 和n如本文所定义；以及其药学上可接受的盐。 式I的化合物可用于治疗神经系统和神经精神疾病。

  公开号：

  US20050154000A1

文献信息

• DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF GLYCINE TRANSPORTER 1 AND GLYCINE TRANSPORTER 2
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1716147B1

  公开（公告）日：2007-11-14
• US7265126B2
  申请人：——

  公开号：US7265126B2

  公开（公告）日：2007-09-04
• [EN] DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF TRANSPORTER 1 AND GLYCINE TRANSPORTER 2<br/>[FR] DERIVES DE LA DIAZA-SPIROPIPERIDINE UTILISES COMME INHIBITEURS DU TRANSPORTEUR 1 ET DU TRANSPORTEUR DE LA GLYCINE 2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005068462A1

  公开（公告）日：2005-07-28

  The present invention relates to compounds of formula (I) wherein A-B is CH2-CH2, -CH2-O-, O-CH2, CH2-S, -S-CH2-, CH2-C(O)-, C(O)-CH2-, .-N(R4)-CH2- or -CH2-N(R4)-; R1 is lower alkyl, lower alkenyl, cycloalkyl, or is aryl, optionally substituted by one or two substituents, selected from the group consisting of halogen, cyano, lower alkyl, CF3, OCF3 or lower alkoxy, or is heteroaryl, optionally substituted by one or two substituents selected from the group consisting of halogen, lower alkyl, CF3 or lower alkoxy; R2 is lower alkyl, cycloalkyl, or is aryl, optionally substituted by one or two substituents, selected from the group consisting of halogen, lower alkyl, CF3, lower alkoxy, or is heteroaryl, optionally substituted by one or two substituents, selected from the group consisting of halogen, lower alkyl, CF3, lower alkoxy, or is heteroaryl, optionally substituted by one or two substituents, selected from the group consisting of halogen, lower alkyl, CF3, or lower alkoxy; R3 is hydrogen, lower alkyl or benzyl; R4 is hydrogen or benzyl; n is 0, 1 or 2; and to pharmaceutically available salts thereof. The compounds of formula I may be used in the treatment of neurological and neuropsychiatric disorders.