{[6-{[(4,5-dimethyl-1,3-thiazol-2-yl)thio]methyl}-4-(4-morpholinyl)-2-pyridinyl]amino }acetonitrile | 1186080-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {[6-{[(4,5-dimethyl-1,3-thiazol-2-yl)thio]methyl}-4-(4-morpholinyl)-2-pyridinyl]amino }acetonitrile
• 英文别名: 2-(6-((4,5-Dimethylthiazol-2-ylthio)methyl)-4-morpholinopyridin-2-ylamino)acetonitrile；2-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]acetonitrile
• CAS: 1186080-07-8
• 化学式: C₁₇H₂₁N₅OS₂
• 分子量: 375.519
• InChiKey: RNDGLTKPDGDXCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 alkaline earth salt of/the/ methylsulfuric acid 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成 {[6-{[(4,5-dimethyl-1,3-thiazol-2-yl)thio]methyl}-4-(4-morpholinyl)-2-pyridinyl]amino }acetonitrile
  参考文献：
  名称：

  Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity

  摘要：

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.069

文献信息

• ALKYLAMINOPYRIDINE DERIVATIVE
  申请人：Ando Makoto

  公开号：US20110015181A1

  公开（公告）日：2011-01-20

  The present invention relates to a compound that is useful for treatment of, for example, hypertension, arteriosclerosis, bulimia and obesity because of having an antagonistic action to a neuropeptide Y receptor and is represented by formula (I) [wherein R 1 represents hydrogen, cyano, or the like; R represents a group represented by formula (II); X 1 represents C 1-4 lower alkylene or the like; X 2 represents lower alkylene or the like; and Het represents a 5-membered heteroaromatic ring that has at least one nitrogen atom and, in addition, one or two hetero atoms selected from the group consisting of nitrogen, sulfur and oxygen atoms] or to a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，由式(I)表示，该化合物具有对神经肽Y受体的拮抗作用，因此可用于治疗高血压、动脉硬化、暴食症和肥胖症等疾病。其中，R1代表氢、氰或类似物；R代表由式(II)表示的基团；X1代表C1-4低烷基或类似物；X2代表低烷基或类似物；Het代表一个五元杂环芳香环，其中至少有一个氮原子，并且还有一个或两个来自氮、硫和氧原子组成的杂原子。该化合物或其药学上可接受的盐可用于治疗上述疾病。