4-[2-(2,3-dioxo-1-piperazinyl)ethoxy]benzonitrile | 596809-54-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-[2-(2,3-dioxo-1-piperazinyl)ethoxy]benzonitrile
• 英文别名: 4-[2-(2,3-Dioxopiperazin-1-yl)ethoxy]benzonitrile
• CAS: 596809-54-0
• 化学式: C₁₃H₁₃N₃O₃
• 分子量: 259.265
• InChiKey: OGGGKVWNYZHDEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Novel arylamidine derivative or salt thereof
  申请人：Hayashi Kazyua

  公开号：US20050113424A1

  公开（公告）日：2005-05-26

  An arylamidine derivative represented by a general formula described below or a salt thereof has an excellent antifungal action and high safety, and it is useful as an antifungal agent with good pharmacokinetics and pharmacodynamic properties wherein X represents an unsubstituted or substituted lower alkylene or alkenylene group; G 1 represents an oxygen atom, a sulfur atom, or an imino group; G 2 represents a carbon atom or a nitrogen atom; R a represents at least one group selected from the group consisting of a hydrogen atom, a halogen atom, and unsubstituted or substituted alkyl, cycloalkyl and alkoxy groups; R 1 represents an unprotected or protected or unsubstituted or substituted amidino group; and R 2 represents a substituted amino or substituted cyclic amino group, or the like.

  下面所述的一般式代表的芳基胺衍生物或其盐具有优异的抗真菌作用和高安全性，是一种具有良好药代动力学和药效学特性的抗真菌剂，其中X代表未取代或取代的较低烷基或烯基基团；G1代表氧原子、硫原子或亚胺基；G2代表碳原子或氮原子；Ra代表氢原子、卤原子和未取代或取代的烷基、环烷基和烷氧基等基团中的至少一种；R1代表未保护或保护或未取代或取代的酰胺基团；R2代表取代的氨基或取代的环状氨基等基团。
• NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1481966A1

  公开（公告）日：2004-12-01

  An arylamidine derivative represented by a general formula described below or a salt thereof has an excellent antifungal action and high safety, and it is useful as an antifungal agent with good pharmacokinetics and pharmacodynamic properties: wherein X represents an unsubstituted or substituted lower alkylene or alkenylene group; G1 represents an oxygen atom, a sulfur atom, or an imino group; G2 represents a carbon atom or a nitrogen atom; Ra represents at least one group selected from the group consisting of a hydrogen atom, a halogen atom, and unsubstituted or substituted alkyl, cycloalkyl and alkoxy groups; R1 represents an unprotected or protected or unsubstituted or substituted amidino group; and R2 represents a substituted amino or substituted cyclic amino group, or the like.

  由下述通式代表的芳基脒衍生物或其盐具有优异的抗真菌作用和较高的安全性，可用作具有良好药代动力学和药效学特性的抗真菌剂： 其中 X 代表未取代或取代的低级亚烷基或烯基；G1 代表氧原子、硫原子或亚氨基；G2 代表碳原子或氮原子；Ra 代表至少一个选自氢原子、卤素原子和未取代或取代的烷基、环烷基和烷氧基的基团；R1 代表未保护或保护的或未取代或取代的脒基；R2 代表取代的氨基或取代的环氨基或类似基团。
• US7291617B2
  申请人：——

  公开号：US7291617B2

  公开（公告）日：2007-11-06