4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide | 1344125-25-2

• 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: 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide
• CAS: 1344125-25-2
• 化学式: C₁₈H₂₈N₆O₂S₂
• 分子量: 424.591
• InChiKey: QKJINSZAQQSSGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(5-氨基戊基)氨基甲酸叔丁酯 在 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 24.0h， 生成 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide
  参考文献：
  名称：

  5-(2′-Pyridyl)-2-aminothiazoles: Alkyl amino sulfonamides and sulfamides as potent NPY5 antagonists

  摘要：

  Synthesis, SAR and physico-chemical properties of an alkyl aminothiazole series 8 and 16 are described. 2-Pyridylaminothiazole based compounds such as 8c and 16a exhibit high affinity at the NPY5 receptor with desirable cLogPs and solubilities. However, they also suffer from high in vitro and in vivo clearance. Compound 16a partially inhibits the feeding behavior elicited by i.c.v. injection of the selective NPY5 agonist [cPP(1-7), NPY19-23, Ala(31), Aib(32), Gln(34)]-human pancreatic polypeptide polypeptide (cPP). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.072

文献信息

• 5-(2′-Pyridyl)-2-aminothiazoles: Alkyl amino sulfonamides and sulfamides as potent NPY5 antagonists
  作者：Mathivanan Packiarajan、Heather Coate、Mahesh Desai、Hermogenes N. Jimenez、Emily J. Reinhard、Vrej J. Jubian、Mohammad R. Marzabadi、Gamini Chandrasena、Toni C. Wolinski、Mary W. Walker、Kim Andersen

  DOI：10.1016/j.bmcl.2011.08.072

  日期：2011.11

  Synthesis, SAR and physico-chemical properties of an alkyl aminothiazole series 8 and 16 are described. 2-Pyridylaminothiazole based compounds such as 8c and 16a exhibit high affinity at the NPY5 receptor with desirable cLogPs and solubilities. However, they also suffer from high in vitro and in vivo clearance. Compound 16a partially inhibits the feeding behavior elicited by i.c.v. injection of the selective NPY5 agonist [cPP(1-7), NPY19-23, Ala(31), Aib(32), Gln(34)]-human pancreatic polypeptide polypeptide (cPP). (C) 2011 Elsevier Ltd. All rights reserved.