N-cyclohexyl-1,4'-bipiridine-1'-thiocarboxamide

• 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: N-cyclohexyl-1,4'-bipiridine-1'-thiocarboxamide
• 英文别名: N'-Cyclohexylthiocarbamoyl-N-1,4'bipiperidine；N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carbothioamide
• 化学式: C₁₇H₃₁N₃S
• 分子量: 309.519
• InChiKey: CYYQXNIJWSBZLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  50.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-哌啶基哌啶 、 环己基异硫氰酸脂 在 草酸 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 2.0h， 生成 N-cyclohexyl-1,4'-bipiridine-1'-thiocarboxamide
  参考文献：
  名称：

  Non-imidazole alkylamines as histamine H3- receptor ligands and their therapeutic applications

  摘要：

  使用公式（A）中的化合物，其中： W是一个残基，当附加在咪唑环的4（5）位置时，赋予组合物在组胺H3受体上的拮抗和/或激动活性； R1和R2可以相同也可以不同，分别独立地表示较低的烷基或环烷基，或者与它们所附着的氮原子一起形成饱和的含氮环（i），如所定义，非芳香性不饱和含氮环（ii），如所定义，吗啡啶基，或者如所定义的N-取代哌嗪基，用于制备在组胺H3受体上起拮抗剂和/或激动剂作用的药物。

  公开号：

  US20060247223A1

文献信息

• NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS
  申请人：SCHWARTZ Jean-Charles

  公开号：US20110281844A1

  公开（公告）日：2011-11-17

  Use of a compound of formula (A), wherein: W is a residue which imparts antagonistic and/or agonistic activity at histamine H 3 -receptors when attached to an imidazole ring in 4(5) position; R 1 and R 2 may be identical or different and represent each independently a lower alkyl or cycloalkyl, or taken together with the nitrogen atom to which they are attached, a saturated nitrogen-containing ring (i) as defined, a non-aromatic unsaturated nitrogen-containing ring (ii) as defined, a morpholino group, or a N-substituted piperazino group as defined for preparing medicaments acting as antagonists and/or agonists at the H 3 -receptors of histamine.

  使用公式（A）中的化合物，其中： W是一个残基，当连接到咪唑环的4（5）位置时，赋予组合物在组胺H3受体上的拮抗和/或激动活性；R1和R2可能相同也可能不同，且分别独立地代表较低的烷基或环烷基，或者与它们连接的氮原子一起，代表饱和的含氮环（i），如所定义，非芳香性不饱和含氮环（ii），如所定义，吗啡啶基团，或所定义的N-取代哌嗪基团，以制备在组胺H3受体上作为拮抗剂和/或激动剂的药物。
• Non-imidazole alkylamines as histamine H3-receptor ligands and their therapeutic applications
  申请人：BIOPROJET

  公开号：EP2000462A2

  公开（公告）日：2008-12-10

  The present invention provides new non-imidazole alkylamine derivatives, and their use for preparing medicaments acting as ligands at the H3-receptors of histamine.

  本发明提供了新的非咪唑烷基胺衍生物，以及它们在制备用作组胺 H3 受体配体的药物方面的用途。
• Influence of imidazole replacement in different structural classes of histamine H3-receptor antagonists
  作者：Galina Meier、Joachim Apelt、Ulrich Reichert、Sven Graßmann、Xavier Ligneau、Sigurd Elz、Fabien Leurquin、C.Robin Ganellin、Jean-Charles Schwartz、Walter Schunack、Holger Stark

  DOI：10.1016/s0928-0987(01)00106-3

  日期：2001.6

  The reference compounds for histamine H(3)-receptor antagonists carry as a common feature an imidazole moiety substituted in the 4-position. Very recently novel ligands lacking an imidazole ring have been described possessing a N-containing non-aromatic heterocycle instead. In this study we investigated whether imidazole replacement, favourably by a piperidine moiety, is generally applicable to different structural classes of reference compounds, e.g., thioperamide, carboperamide, clobenpropit, FUB 181, ciproxifan, etc. While replacement led to a loss of affinity for many of the compounds, it was successfully applied to some ether derivatives. The piperidine analogues of FB 181 and ciproxifan, 3-(4-chlorophenyl)propyl 3-piperidinopropyl ether hydrogen oxalate (6) and cyclopropyl 4-(3-piperidinopropyloxy)phenyl methanone hydrogen maleate (7), almost maintained in vitro affinities, pK(i) values of 7.8 and 8.4, respectively, and showed high potency in vivo after p.o. administration (ED(50) values of 1.6 and 0.18 mg/kg, respectively). (C) 2001 Elsevier Science B.V. All rights reserved.
• US7169928B2
  申请人：——

  公开号：US7169928B2

  公开（公告）日：2007-01-30
• US7910605B2
  申请人：——

  公开号：US7910605B2

  公开（公告）日：2011-03-22