2-[(2-Chloro-4-trifluoro-methyl-pyrimidine-5-carbonyl)-amino]-thiophene-3-carboxylic acid methyl ester | 524924-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-[(2-Chloro-4-trifluoro-methyl-pyrimidine-5-carbonyl)-amino]-thiophene-3-carboxylic acid methyl ester
• 英文别名: Methyl 2-(([2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl)amino)thiophene-3-carboxylate；methyl 2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate
• CAS: 524924-27-4
• 化学式: C₁₂H₇ClF₃N₃O₃S
• 分子量: 365.72
• InChiKey: PHHJDWSBUKRMAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• Modulation of pathogenicity
  申请人：4 SC AG

  公开号：US20040063765A1

  公开（公告）日：2004-04-01

  The present invention relates to the use of compounds of the general Formula (I): 1 wherein in Formula (I), R is H, alkyl, cycloalkyl, aryl or heteroaryl; R 1 is H, alkyl, cycloalkyl, aryl or heteroaryl; R 2 is H, alkyl, cycloalkyl, aryl or heteroaryl; A 1 and A 2 each independently represent an optionally substituted C 1 -C 20 -alkyl group which may contain one or more group(s) Z, or a monocyclic or polycyclic optionally substituted aromatic or non-aromatic ring system which may contain one or more group(s) X, and in case of a polycyclic ring system, said system contains at least one aromatic ring; z is selected from the group consisting of S, O, N, NR 4 , CO, CO 2 , CS, SO or SO 2 X is selected from the group consisting of S, O, N, NR 4 , SO or SO 2 ;

  本发明涉及使用一般式（I）的化合物：1其中，在式（I）中，R为氢，烷基，环烷基，芳基或杂芳基；R1为氢，烷基，环烷基，芳基或杂芳基；R2为氢，烷基，环烷基，芳基或杂芳基；A1和A2各自独立地表示可选取代的C1-C20烷基，其中可以含有一个或多个Z基团，或者是一个单环或多环可选取代的芳香或非芳香环系，其中可以含有一个或多个X基团，在多环环系的情况下，该环系至少含有一个芳香环；z选自S、O、N、NR4、CO、CO2、CS、SO或SO2；X选自S、O、N、NR4、SO或SO2。
• SELECTIVE ANTIBACTERIAL AGENTS
  申请人：4SC AG

  公开号：EP1478364A2

  公开（公告）日：2004-11-24
• Modulation of pathogcnicity
  申请人：Ammendola Aldo

  公开号：US20080194588A1

  公开（公告）日：2008-08-14

  The present invention relates to the use of compounds of the general Formula (I): wherein in Formula (I), R is H, alkyl, cycloalkyl, aryl or heteroaryl; R 1 is H, alkyl, cycloalkyl, aryl or heteroaryl; R 2 is H, alkyl, cycloalkyl, aryl or heteroaryl; A 1 and A 2 each independently represent an optionally substituted C 1 -C 20 -alkyl group which may contain one or more group(s) Z, or a monocyclic or polycyclic optionally substituted aromatic or non-aromatic ring system which may contain one or more group(s) X, and in case of a polycyclic ring system, said system contains at least one aromatic ring; Z is selected from the group consisting of S, O, N, NR 4 , CO, CO 2 , CS, SO or SO 2 X is selected from the group consisting of S, O, N, NR 4 , SO or SO 2 ;
• Modulation of Pathogenicity
  申请人：Ammendola Aldo

  公开号：US20100280036A1

  公开（公告）日：2010-11-04

  The present invention relates to the use of compounds of the general Formula (I): wherein in Formula (I), R is H, alkyl, cycloalkyl, aryl or heteroaryl; R 1 is H, alkyl, cycloalkyl, aryl or heteroaryl; R 2 is H, alkyl, cycloalkyl, aryl or heteroaryl; A 1 and A 2 each independently represent an optionally substituted C 1 -C 20 -alkyl group which may contain one or more group(s) Z, or a monocyclic or polycyclic optionally substituted aromatic or non-aromatic ring system which may contain one or more group(s) X, and in case of a polycyclic ring system, said system contains at least one aromatic ring; Z is selected from the group consisting of S, O, N, NR 4 , CO, CO 2 , CS, SO or SO 2 X is selected from the group consisting of S, O, N, NR 4 , SO or SO 2 ;
• US7335779B2
  申请人：——

  公开号：US7335779B2

  公开（公告）日：2008-02-26