4-[2-[[4-(ethyliminomethylamino)-3,6-dimethylcyclohex-2-en-1-yl]methyl]-2,3-dihydro-1,3-thiazol-4-yl]-N-oxocyclohex-3-ene-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4-[2-[[4-(ethyliminomethylamino)-3,6-dimethylcyclohex-2-en-1-yl]methyl]-2,3-dihydro-1,3-thiazol-4-yl]-N-oxocyclohex-3-ene-1-carboxamide
• 化学式: C₂₂H₃₂N₄O₂S
• 分子量: 416.6
• InChiKey: INYZLYFCFDETDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• AMIDINE COMPOUND OR SALT THEREOF
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP2738163A1

  公开（公告）日：2014-06-04

  The purpose of the present invention is to provide a novel compound which has an anti-fungal activity on pathogenic fungi including fungi belonging to the genus Candida, the genus Aspergillus and the genus Trichophyton and is useful as a medicinal agent. A compound represented by formula (I) (wherein A1 represents a nitrogen atom or a group represented by formula CR6; A2 and A3 are the same as or different from each other and independently represent a nitrogen atom or a group represented by formula CH; R1 represents an aryl group which may be substituted by 1 to 5 substituents independently selected from a substituent group (2) or the like; R2 and R3 are the same as or different from each other and independently represent a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C1-6 haloalkyl group or a C1-6 alkoxy group; and R4 and R5 are the same as or different from each other and independently represent a hydrogen atom, a C1-6 haloalkyl group, a C1-6 alkyl group or the like) or a salt thereof is useful as an anti-fungal agent.

  本发明的目的是提供一种新型化合物，该化合物对病原真菌（包括属于念珠菌属、曲霉属和毛霉属的真菌）具有抗真菌活性，可用作药剂。由式（I）代表的化合物（其中 A1 代表氮原子或由式 CR6 代表的基团；A2 和 A3 彼此相同或不同，且独立地代表氮原子或由式 CH 代表的基团；R1 代表芳基，该芳基可被 1 至 5 个独立地选自取代基（2）或类似的取代基取代；R2和R3彼此相同或不同，独立地代表氢原子、卤素原子、C1-6烷基、C1-6卤代烷基或C1-6烷氧基；以及R4和R5彼此相同或不同，独立地代表氢原子、C1-6卤代烷基、C1-6烷基或类似基团）或其盐可用作抗真菌剂。