| 1344125-31-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• CAS: 1344125-31-0
• 化学式: C₈H₂₀N₂O₂S*ClH
• 分子量: 244.786
• InChiKey: WRSSODUDPSVIRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  14.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  72.19
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 为溶剂， 生成 N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-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
• 作为产物：
  描述：

  在 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 以88%的产率得到
  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