ethyl [(2-amino-6-methylpyrimidin-4-yl)sulfanyl]acetate

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ethyl [(2-amino-6-methylpyrimidin-4-yl)sulfanyl]acetate
• 英文别名: ethyl 2-[(2-amino-6-methylpyrimidin-4-yl)thio]acetate；Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate；ethyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
• 化学式: C₉H₁₃N₃O₂S
• 分子量: 227.287
• InChiKey: PZQODSJREVUUEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl [(2-amino-6-methylpyrimidin-4-yl)sulfanyl]acetate 在 hydrazine hydrate 作用下， 反应 0.67h， 以74%的产率得到2-[(2-amino-6-methylpyrimidin-4-yl)sulfanyl]-acetohydrazide
  参考文献：
  名称：

  N-(3-Sulfanylmethyl-4H-1,2,4-triazol-4-yl)-2-sulfanylacetamide Containing Terminal 2-Amino-6-methylpyrimidin-4-yl Fragments. Synthesis from 2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide and Triethyl Orthoformate

  摘要：

  2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide reacted with triethyl orthoformate at a molar ratio of 1:1 to give 2-[(2-amino-6-methylpyrimidin-4-yl)sulfanyl]-N-{3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,2,4-triazol-4-yl}acetamide.

  DOI：

  10.1134/s1070428019030229
• 作为产物：
  描述：

  氯乙酸乙酯 、 2-氨基-6-甲基嘧啶-4-硫醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以50%的产率得到ethyl [(2-amino-6-methylpyrimidin-4-yl)sulfanyl]acetate
  参考文献：
  名称：

  N-(3-Sulfanylmethyl-4H-1,2,4-triazol-4-yl)-2-sulfanylacetamide Containing Terminal 2-Amino-6-methylpyrimidin-4-yl Fragments. Synthesis from 2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide and Triethyl Orthoformate

  摘要：

  2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide reacted with triethyl orthoformate at a molar ratio of 1:1 to give 2-[(2-amino-6-methylpyrimidin-4-yl)sulfanyl]-N-{3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,2,4-triazol-4-yl}acetamide.

  DOI：

  10.1134/s1070428019030229

文献信息

• Pyrimidine Derivatives As HSP90 Inhibitors
  申请人：Chessari Gianni

  公开号：US20090215777A1

  公开（公告）日：2009-08-27

  The invention provides a compound for use as an inhibitor of Hsp90, the compound having the formula (I): or salts, tautomers, solvates or N-oxides thereof; wherein: A is N or a group CR 3 ; R 1 is a monocyclic or bicyclic carbocyclic or heterocyclic ring of 5 to 10 ring members of which up to two ring members may be heteroatoms selected from N, O and S and the remainder are carbon atoms, the carbocyclic or heterocyclic ring being optionally substituted by one or more substituent groups independently selected from R 10 ; and R 2 , R 3 and R 10 are as defined in the claims.

  该发明提供了一种化合物，用作Hsp90的抑制剂，该化合物具有以下式（I）：或其盐、互变异构体、溶剂合物或N-氧化物；其中：A为N或CR基团；R1为由5至10个环成员组成的单环或双环碳环或杂环，其中最多两个环成员可以是从N、O和S中选择的杂原子，其余为碳原子，碳环或杂环可以选择地被一个或多个取代基独立地选择自R10的取代基取代；而R2、R3和R10如权利要求中所定义。
• Method of inhibiting gastric acid secretions with
  申请人：Warner-Lambert Company

  公开号：US04117131A1

  公开（公告）日：1978-09-26

  2-(4-Pyrimidinyl)thioacetamides are disclosed that have been found useful in the treatment of gastric hyperacidity.

  2-(4-嘧啶基)硫乙酰胺被发现对治疗胃酸过多有用。
• US4117131A
  申请人：——

  公开号：US4117131A

  公开（公告）日：1978-09-26
• N-(3-Sulfanylmethyl-4H-1,2,4-triazol-4-yl)-2-sulfanylacetamide Containing Terminal 2-Amino-6-methylpyrimidin-4-yl Fragments. Synthesis from 2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide and Triethyl Orthoformate
  作者：A. V. Erkin、V. I. Krutikov

  DOI：10.1134/s1070428019030229

  日期：2019.3

  2-[(2-Amino-6-methylpyrimidin-4-yl)sulfanyl]acetohydrazide reacted with triethyl orthoformate at a molar ratio of 1:1 to give 2-[(2-amino-6-methylpyrimidin-4-yl)sulfanyl]-N-3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,2,4-triazol-4-yl}acetamide.