2-(3,4-dichlorophenyl)-4-(2-hydroxyphenyl)-3-oxopentanonitrile

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(3,4-dichlorophenyl)-4-(2-hydroxyphenyl)-3-oxopentanonitrile
• 英文别名: 2-(3,4-Dichlorophenyl)-4-(2-hydroxyphenyl)-3-oxopentanenitrile
• 化学式: C₁₇H₁₃Cl₂NO₂
• 分子量: 334.202
• InChiKey: PYUOLBWDCUFVIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• KETONITRILE DERIVATIVES AND ANTIBACTERIAL AGENT AND DRUG CONTAINING THE SAME
  申请人：TOKUYAMA CORPORATION

  公开号：EP0863132A1

  公开（公告）日：1998-09-09

  The present invention is directed to a ketonitrile derivative represented by the following formula (1): (wherein R1 is a hydrogen atom or a lower alkyl group; each of R2, R3, R4, and R5, which may be identical to or different from each other, is a hydrogen atom, a halogen atom, a nitro group, a lower alkyl group, a lower alkoxyl group, or a substituted or unsubstituted phenoxy group; X is a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; Y is a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted heterocyclic group, a carbonyl group that has been substituted by a substituted or unsubstituted aromatic hydrocarbon group, a carbonyl group that has been substituted by a substituted or unsubstituted heterocyclic group, an N,N-di-substituted carbamoyl group, or an alkyl group that has been substituted by a heterocyclic group) or a salt thereof, and to an antibacterial agent as well as to a drug containing, as the effective ingredient, the ketonitrile derivative or the salt. This compound exhibits excellent antibacterial activity against gram-positive bacteria and gram-negative bacteria.

  本发明涉及由下式(1)代表的酮腈衍生物： (其中 R1 是氢原子或低级烷基；R2、R3、R4 和 R5（它们可以彼此相同或不同）各自是氢原子、卤素原子、硝基、低级烷基、低级烷氧基或取代或未取代的苯氧基；X 是取代或未取代的芳烃基团或取代或未取代的杂环基团；Y 是取代或未取代的芳香烃基、取代或未取代的杂环基、被取代或未取代的芳香烃基取代的羰基、被取代或未取代的杂环基取代的羰基、N,N-二取代氨基甲酰基或被杂环基取代的烷基）或其盐，以及抗菌剂和含有酮腈衍生物或其盐作为有效成分的药物。这种化合物对革兰氏阳性菌和革兰氏阴性菌都有很好的抗菌活性。
• US5968977A
  申请人：——

  公开号：US5968977A

  公开（公告）日：1999-10-19