4-(2-Benzoylamino-4-carboxy-butyrylamino)-benzoic acid ethyl ester | 6620-54-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(2-Benzoylamino-4-carboxy-butyrylamino)-benzoic acid ethyl ester
• 英文别名: 4-Benzamido-5-(4-ethoxycarbonylanilino)-5-oxopentanoic acid
• CAS: 6620-54-8
• 化学式: C₂₁H₂₂N₂O₆
• 分子量: 398.415
• InChiKey: VPBXQYJUDDLSRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Cyclic carboxylic acids as integrin antagonists
  申请人：——

  公开号：US20030232868A1

  公开（公告）日：2003-12-18

  The present invention relates to compounds of general formula (I), processes for their preparation, pharmaceutical compositions containing them as well as their use for the production of pharmaceutical compositions for the treatment of inflammatory diseases. 1

  本发明涉及一般式（I）的化合物，其制备方法，包含它们的药物组合物，以及它们用于制备治疗炎症性疾病的药物组合物的用途。
• Para-amino benzoic acids as integrin antagonists
  申请人：Lehmann Thomas

  公开号：US20050054582A1

  公开（公告）日：2005-03-10

  The present invention relates to compounds of the general formula (I), their preparation and use as pharmaceutical compositions asintegrin antagonists, especially as α 4 β and/or α 4 β 7 ?and/or α 9 β 1 intergrin antagonists and in particular for the production of pharmaceutical compositions suitable for the inhibition or the prevention of cell adhesion and cell-adhesion mediated disorders. Examples are the treatment and the prophylaxis of atherosclerosis, asthma, chronic obstructive pulmonary disease (COPD), allergies, diabetes, inflammatory bowel disease, multiple sclerosis, myocardial ischemia, rheumatoid arthritis, transplant rejection and other inflammatory, autoimmune and immune disorders.

  本发明涉及通式（I）的化合物，其制备和用作制药组合物，作为整合素拮抗剂，特别是作为α4β和/或α4β7和/或α9β1整合素拮抗剂，特别用于制备适用于抑制或预防细胞黏附和细胞黏附介导疾病的制药组合物。例如，治疗和预防动脉粥样硬化、哮喘、慢性阻塞性肺疾病（COPD）、过敏、糖尿病、炎症性肠病、多发性硬化症、心肌缺血、类风湿性关节炎、移植排斥和其他炎症、自身免疫和免疫性疾病。
• CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS
  申请人：Bayer Aktiengesellschaft

  公开号：EP1276714A2

  公开（公告）日：2003-01-22
• [EN] CYCLIC CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS<br/>[FR] ACIDES CARBOXYLIQUES CYCLIQUES COMME ANTAGONISTES D'INTEGRINES
  申请人：BAYER AG

  公开号：WO2001081298A2

  公开（公告）日：2001-11-01

  The present invention relates to compounds of general formula (I), processes for their preparation, pharmaceutical compositions containing them as well as their use for the production of pharmaceutical compositions for the treatment of inflammatory diseases.