4-[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-ylcarbamoyl]pentanoic acid | 1139744-08-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-ylcarbamoyl]pentanoic acid
• 英文别名: 5-[[5-Cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxopentanoic acid
• CAS: 1139744-08-3
• 化学式: C₁₆H₁₄FN₃O₃S
• 分子量: 347.37
• InChiKey: LFMVYGYWWZAYMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX COMPOSÉS COMME ANTAGONISTES DES RÉCEPTEURS A1 DE L'ADÉNOSINE
  申请人：PALOBIOFARMA SL

  公开号：WO2009044250A1

  公开（公告）日：2009-04-09

  This compounds correspond to the formula (I), where: R1 represents and aryl or heteroaryl group optionally substituted by one or more substituents selected from the group consisting of halogen atoms, straight or branched optionally substituted lower alkyl, cycloalkyl, hydroxy, straight or branched, optionally substituted lower alkoxy, cyano, or -CO2R', wherein R' represents a hydrogen atom or a straight or branched, optionally substituted lower alkyl group; R2 represents a group selected from: a) a straight or branched lower alkyl group substituted by one or more carboxylic groups (-COOH) and optionally substituted by one or more halogen atoms; b) a cycloalkyl group substituted by one or more carboxylic groups (-COOH) and optionally substituted by one or more halogen atoms; c) a straight or branched alkylcycloalkyl or cycloalkylalkyl group substituted by one or more carboxylic groups (-COOH) and optionally substituted by one or more halogen atoms. Formula (I).

  这些化合物对应于公式(I)，其中：R1代表芳基或杂环基，可选择地被一个或多个取代基所取代，所述取代基从卤素原子、直链或支链的可选择取代的低烷基、环烷基、羟基、直链或支链的可选择取代的低烷氧基、氰基或-CO2R'中选择，其中R'代表氢原子或直链或支链的可选择取代的低烷基；R2代表从以下选组中选择的基团：a）被一个或多个羧基（-COOH）取代的直链或支链低烷基，可选择地被一个或多个卤素原子取代；b）被一个或多个羧基（-COOH）取代的环烷基，可选择地被一个或多个卤素原子取代；c）被一个或多个羧基（-COOH）取代的直链或支链烷基环烷基或环烷基烷基，可选择地被一个或多个卤素原子取代。公式（I）。
• NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS
  申请人：Gonzalez Lio Lyhen

  公开号：US20100311703A1

  公开（公告）日：2010-12-09

  This compounds correspond to the formula (I), where: R 1 represents and aryl or heteroaryl group optionally substituted by one or more substituents selected from the group consisting of halogen atoms, straight or branched optionally substituted lower alkyl, cycloalkyl, hydroxy, straight or branched, optionally substituted lower alkoxy, cyano, or —CO 2 R′, wherein R′ represents a hydrogen atom or a straight or branched, optionally substituted lower alkyl group; R 2 represents a group selected from: a) a straight or branched lower alkyl group substituted by one or more carboxylic groups (—COOH) and optionally substituted by one or more halogen atoms; b) a cycloalkyl group substituted by one or more carboxylic groups (—COOH) and optionally substituted by one or more halogen atoms; c) a straight or branched alkylcycloalkyl or cycloalkylalkyl group substituted by one or more carboxylic groups (—COOH) and optionally substituted by one or more halogen atoms. Formula (I).

  这些化合物对应于公式(I)，其中: R1代表芳基或杂环芳基，可选地被来自卤素原子、直链或支链、可选地被取代的低烷基、环烷基、羟基、直链或支链、可选地被取代的低烷氧基、氰基或-CO2R'中的一种或多种取代基所取代，其中R'代表氢原子或直链或支链、可选地被取代的低烷基; R2代表以下之一的基团: a)一个直链或支链的低烷基，其被一个或多个羧基(-COOH)取代，并可选地被一个或多个卤素原子取代; b)一个被一个或多个羧基(-COOH)取代，并可选地被一个或多个卤素原子取代的环烷基; c)一个被一个或多个羧基(-COOH)取代，并可选地被一个或多个卤素原子取代的直链或支链烷基环烷基或环烷基烷基。公式(I)。
• US8410282B2
  申请人：——

  公开号：US8410282B2

  公开（公告）日：2013-04-02