3-(5-{(Z)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(5-{(Z)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
• 英文别名: 3-[5-[(Z)-[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid
• 化学式: C₂₈H₂₁ClN₂O₆S
• 分子量: 549.0
• InChiKey: DJNUMLMYBIVHSS-HMAPJEAMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Activation specific inhibitors of nf-kb and method of treating inflammatory processes in cardio-vascular diseases
  申请人：Munch Götz

  公开号：US20060194819A1

  公开（公告）日：2006-08-31

  A 5H-Thiazolo[3,2]pyrimidine derivative or a salt thereof for use as a medicine, which is represented by the following formula (A): wherein R represents an optionally substituted phenyl or pyridyl group; R4 represents a hydroxyl group, an amino group, a straight chain or branched alkoxy group, a straight chain or branched alkyl group, a cycloalkyloxy group, an alkylamino group, a cycloalkylamino group, a dialkylamino group, R 5 represents a hydrogen atom, a straight chain or branched alkyl group, R 6 and R 7 , which may be the same or different represent a hydrogen atom, a halogen atom, a straight chain or branched alkyl group, a straight chain or branched alkoxy group, a straight chain or branched alkenyl group, a cycloalkyl group, an aryl group, X, Y, and Z which may be same or different represent a hydrogen atom, a halogen atom, a carboxyl group a nitro group, a cyano group, an alkyl group, an alkoxy group or an acyl group.

  一种用作药物的 5H-噻唑并[3,2]嘧啶衍生物或其盐，由下式（A）表示： 其中 R 代表任选取代的苯基或吡啶基；R4 代表羟基、氨基、直链或支链烷氧基、直链或支链烷基、环烷氧基、烷基氨基、环烷基氨基、二烷基氨基、R 5 代表氢原子、直链或支链烷基，R 6 和 R 7 代表氢原子、卤素原子、直链或支链烷基、直链或支链烷氧基、直链或支链烯基、环烷基、芳基；X、Y 和 Z 代表氢原子、卤素原子、羧基、硝基、氰基、烷基、烷氧基或酰基。
• ACTIVATION SPECIFIC INHIBITORS OF NF-kB AND METHOD OF TREATING INFLAMMATORY PROCESSES IN CARDIO-VASCULAR DISEASES
  申请人：Procorde GmbH

  公开号：EP1608376A2

  公开（公告）日：2005-12-28
• [EN] ACTIVATION SPECIFIC INHIBITORS OF NF-kB AND METHOD OF TREATING INFLAMMATORY PROCESSES IN CARDIO-VASCULAR DISEASES<br/>[FR] INHIBITEURS SPECIFIQUES DE L'ACTIVATION DE NF-KB ET METHODE DE TRAITEMENT DE PROCESSUS INFLAMMATOIRES DANS DES MALADIES CARDIO-VASCULAIRES
  申请人：PROCORDE GMBH

  公开号：WO2004084907A2

  公开（公告）日：2004-10-07

  The application relates to the medical use of compounds (A), (B), and (C) wherein the substituents are as defined in the specification, and to certain of these compounds per se.