4,4'-Bis{[(4-fluorophenyl)carbonyl]amino}biphenyl-3,3'-dicarboxylic 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: 4,4'-Bis{[(4-fluorophenyl)carbonyl]amino}biphenyl-3,3'-dicarboxylic acid
• 英文别名: 5-[3-carboxy-4-[(4-fluorobenzoyl)amino]phenyl]-2-[(4-fluorobenzoyl)amino]benzoic acid
• 化学式: C₂₈H₁₈F₂N₂O₆
• mdl: MFCD01186316
• 分子量: 516.4
• InChiKey: SPAPFYBBIPELTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Compounds for use as a medicine increasing the contractility of a heart, a heart muscle or cells of a heart muscle
  申请人：Procorde GmbH

  公开号：EP1477475A1

  公开（公告）日：2004-11-17

  The present invention relates to a class of compounds useful in the treatment of congestive heart failure by increasing the contractility of a heart, a heart muscle or cells of a heart muscle. Moreover, the present invention relates to methods of producing a computer readable database containing representations of specific compounds of the present invention which interact with a specific binding pocket of Gβγ. The compounds or a pharmaceutically acceptable salt or ester thereof for use as a medicine of the invention are characterised by the following formula (I):A-L-B wherein A and B, which may be the same or different are represented by the following group (II) wherein X represents -CONR3-, -NR3CO-, or -NR3COCH=CH-; L represents a single bond, an oxygen atom, a sulfur atom, a CR5R6 group or a NR5 group wherein R5 and R6 are selected from a hydrogen atom, an alkyl group and a halogen atom and R1 and R2 are defined as herein.

  本发明涉及一类通过增强心脏、心肌或心肌细胞的收缩力来治疗充血性心力衰竭的化合物。此外，本发明还涉及制作计算机可读数据库的方法，该数据库包含与 Gβγ 的特定结合口袋相互作用的本发明特定化合物的表示。用作本发明药物的化合物或其药学上可接受的盐或酯的特征为下式(I)：A-L-B 其中A和B可以相同或不同，由下式(II)表示 其中 X 代表-CONR3-、-NR3CO-或-NR3COCH＝CH-； L 代表单键、氧原子、硫原子、CR5R6 基团或 NR5 基团，其中 R5 和 R6 选自氢原子、烷基和卤素原子，R1 和 R2 的定义与本文相同。
• COMPOUNDS FOR USE AS A MEDICINE INCREASING THE CONTRACTILITY OF A HEART, A HEART MUSCLE OR CELLS OF A HEART MUSCLE
  申请人：Procorde GmbH

  公开号：EP1626951A1

  公开（公告）日：2006-02-22
• [EN] COMPOUNDS FOR USE AS A MEDICINE INCREASING THE CONTRACTILITY OF A HEART, A HEART MUSCLE OR CELLS OF A HEART MUSCLE<br/>[FR] COMPOSES DESTINES A ETRE UTILISE COMME UN MEDICAMENT D'ACCROISSEMENT DE LA CONTRACTILITE CARDIAQUE, D'UN MUSCLE CARDIAQUE OU DE CELLULES D'UN MUSCLE CARDIAQUE
  申请人：PROCORDE GMBH

  公开号：WO2004101495A1

  公开（公告）日：2004-11-25

  The present invention relates to a class of compounds useful in the treatment of congestive heart failure by increasing the contractility of a heart, a heart muscle or cells of a heart muscle. Moreover, the present invention relates to methods of producing a computer readable database containing representations of specific compounds of the present invention which interact with a specific binding pocket of GβϜ. The compounds or a pharmaceutically acceptable salt or ester thereof for use as a medicine of the invention are characterised by the following formula (I): A-L-B wherein A and B, which may be the same or different are represented by the following formula group (II) wherein X represents -CONR3-, -NR3CO-, or -NR3COCH=CH-; L represents a single bond, an oxygen atom, a sulfur atom, a CR5R5 group or a NR5 group wherein R5 and R6 are selected from a hydrogen atom, an alkyl group and a halogen atom, R1 and R2 are defined as herein.