1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)ethanone | 1447839-64-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)ethanone
• 英文别名: 1-(4,6-dichloro-2-methylmercaptopyrimidine-5-yl)ethane-1-one；1-(4,6-Dichloro-2-(methylthio)pyrimidin-5-yl)ethanone
• CAS: 1447839-64-6
• 化学式: C₇H₆Cl₂N₂OS
• 分子量: 237.109
• InChiKey: DUNQUDGJBRHJTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)ethanone 在 苦味酸 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 168.5h， 生成 diethyl 5,8-diamino-6a-methyl-2-methylsulfanyl-6a,7-dihydro-6H-1,3,6,7-tetraazaphenalene-4,9-dicarboxylate picrate
  参考文献：
  名称：

  Reaction of ethyl 3,3-diaminoacrylate with pyrimidine series o-chloro ketones. Synthesis of pyrido[4,3-d]pyrimidines and 6H-1,3,6,7-tetra-azaphenalenes

  摘要：

  Cyclocondensation of ethyl 3,3-diaminoacrylate with 5-acetyl-4-chloropyrimidines gave ortho- and peri-condensed heterocycles formed through substitution of the chlorine atom by the alpha-carbon atom of the enediamine and condensation of the amino group with the carbonyl or by addition of the amino group to the pyridine ring.

  DOI：

  10.1007/s10593-013-1269-2

文献信息

• HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20180105527A1

  公开（公告）日：2018-04-19

  The present invention relates to a heteroaryl derivative or a pharmaceutically acceptable salt thereof, a preparation method therefor, and a pharmaceutical composition for preventing or treating diseases associated with PI3 kinases, containing the same as an active ingredient. The heteroaryl derivative according to the present invention has an excellent effect of selectively inhibiting PI3 kinases, thereby being useful in preventing or treating PI3 kinase diseases such as: cancers, autoimmune diseases, and respiratory diseases.

  本发明涉及一种杂环芳基衍生物或其药用可接受盐，以及其制备方法和包含其作为活性成分的用于预防或治疗与PI3激酶相关疾病的药物组合物。根据本发明的杂环芳基衍生物具有优异的选择性抑制PI3激酶的效果，因此在预防或治疗癌症、自身免疫疾病和呼吸道疾病等PI3激酶疾病方面具有用处。
• HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP3312175B1

  公开（公告）日：2020-07-22
• Reaction of ethyl 3,3-diaminoacrylate with pyrimidine series o-chloro ketones. Synthesis of pyrido[4,3-d]pyrimidines and 6H-1,3,6,7-tetra-azaphenalenes
  作者：O. Yu. Bakulina、E. M. Igumnova、D. V. Dar’in、P. S. Lobanov

  DOI：10.1007/s10593-013-1269-2

  日期：2013.6

  Cyclocondensation of ethyl 3,3-diaminoacrylate with 5-acetyl-4-chloropyrimidines gave ortho- and peri-condensed heterocycles formed through substitution of the chlorine atom by the alpha-carbon atom of the enediamine and condensation of the amino group with the carbonyl or by addition of the amino group to the pyridine ring.