1-(Tetrahydro-thiopyran-4-yl)-piperazine | 914654-77-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(Tetrahydro-thiopyran-4-yl)-piperazine
• 英文别名: 1-(tetrahydro-2H-thiopyran-4-yl)piperazine；1-(thian-4-yl)piperazine
• CAS: 914654-77-6
• 化学式: C₉H₁₈N₂S
• mdl: MFCD13188607
• 分子量: 186.321
• InChiKey: ZFMTYEGWVDAQAP-UHFFFAOYSA-N

物化性质

• 沸点：
  302.6±37.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1-(Tetrahydro-thiopyran-4-yl)-piperazine 、 3-(bromomethyl)-2-phenyl-4-quinolinecarboxylic acid, 2-(methoxycarbonyl)-2-phenylhydrazide 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 1-phenyl-2-[(2-phenyl-3-{[4-(tetrahydro-2H-thiopyran-4-yl)piperazin-1-yl]methyl}quinolin-4-yl)carbonyl]hydrazinecarboxylate
  参考文献：
  名称：

  N′,2-Diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists II

  摘要：

  Introduction of selected amine containing side chains into the 3-position of N',2-diphenylquinoline-4-carbohydrazide based NK3 antagonists abolishes unwanted hPXR activation. Introduction of a fluorine at the 8-position is necessary to minimize unwanted hIK(r) affinity and a piperazine N-tert-butyl group is necessary for metabolic stability. The lead compound (8m) occupies receptors within the CNS following oral dosing (Occ(90) 7 mg/kg po; plasma Occgo 0.4 mu M) and has good selectivity and excellent PK properties. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.085

文献信息

• Quinoline derivatives as neurokinin receptor antagonists
  申请人：Carling William Robert

  公开号：US20090054440A1

  公开（公告）日：2009-02-26

  The present invention relates to substituted quinoline hydrazides of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y and Z are defined herein, pharmaceutical compositions comprising them and their use in treating diseases mediated by neurokinin-2 and/or neurokinin-3 (NK-3) receptors. These compounds can thus be used in methods of treatment to suppress and treat such disorders.

  本发明涉及式(I)所示的取代喹啉酰肼：其中R1、R2、R3、R4、R5、X、Y和Z在此定义，包含它们的药物组合物及其在治疗由神经激肽-2和/或神经激肽-3 (NK-3)受体介导的疾病中的用途。因此，这些化合物可用于治疗方法，以抑制和治疗这些疾病。
• 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：CASELLAS Pierre

  公开号：US20090018117A1

  公开（公告）日：2009-01-15

  The disclosure relates to 2-carbamide-4-phenylthiazole derivatives having the following general formula (I): wherein R 1 , R 2 , R 3 , Y and p are as defined in the disclosure. The disclosure also relates to pharmaceutical compositions containing a compound of formula (I), to processes for preparing the compounds of formula (I), and to methods of using the compounds of formula (I).

  该公开涉及具有以下一般式(I)的2-氨基甲酰胺-4-苯基噻唑衍生物，其中R1、R2、R3、Y和p如公开中定义的。该公开还涉及含有一种具有式(I)的化合物的药物组合物，用于制备式(I)化合物的方法，以及使用式(I)化合物的方法。
• FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE
  申请人：AKARNA THERAPEUTICS, LTD.

  公开号：US20210147426A1

  公开（公告）日：2021-05-20

  Described herein are fused bicyclic compounds, compositions, and methods for their use for the treatment of disease.
• US7825112B2
  申请人：——

  公开号：US7825112B2

  公开（公告）日：2010-11-02