2-[2-[2-[4-(2-Phenylethylsulfonyl)phenyl]propanoylamino]phenyl]methylbenzoic acid | 403719-10-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[2-[2-[4-(2-Phenylethylsulfonyl)phenyl]propanoylamino]phenyl]methylbenzoic acid
• 英文别名: 2-[[2-[2-[4-(2-Phenylethylsulfonyl)phenyl]propanoylamino]phenyl]methyl]benzoic acid
• CAS: 403719-10-8
• 化学式: C₃₁H₂₉NO₅S
• 分子量: 527.641
• InChiKey: VAXIHUCUNPZRLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient
  申请人：——

  公开号：US20040002493A1

  公开（公告）日：2004-01-01

  A pharmaceutical composition, which comprises a benzoic acid derivative of formula (I) 1 wherein R 1 is COOH, COOR 6 etc.; A, B is carbocyclic ring or heterocyclic ring; R 2 is alkyl, alkenyl, alkynyl etc.; R 4 is alkyl, cycloalkyl etc.; R 5 is carbocyclic ring or heterocyclic ring; or non-toxic salts thereof. The compound of the formula (I) can bind to Prostaglandin E 2 receptors, especially, EP 3 receptor and/or EP 4 receptor and show the antagonizing activity, and useful for the prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer.

  一种药物组合物，包括化学式(I)1中的苯甲酸衍生物，其中R1为COOH，COOR6等；A、B为碳环或杂环；R2为烷基、烯基、炔基等；R4为烷基、环烷基等；R5为碳环或杂环；或其非毒性盐。化合物的化学式(I)可以与前列腺素E2受体结合，特别是EP3受体和/或EP4受体，并显示拮抗活性，对于预防和/或治疗疾病，例如疼痛、过敏、阿尔茨海默病、癌症等具有用处。
• BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1314719A1

  公开（公告）日：2003-05-28

  A pharmaceutical composition, which comprises a benzoic acid derivative of formula (I) wherein R1 is COOH, COOR6 etc.; A, B is carbocyclic ring or heterocyclic ring; R2 is alkyl, alkenyl, alkynyl etc.; R4 is alkyl, cycloalkyl etc.; R5 is carbocyclic ring or heterocyclic ring; or non-toxic salts thereof. The compound of the formula (I) can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show the antagonizing activity, and useful for the prevention and/or treatment of disease, for example, pain, allergy, Alzheimer' s disease, cancer.

  一种药物组合物，它包括式 (I) 的苯甲酸衍生物 其中 R1 是 COOH、COOR6 等；A、B 是碳环或杂环；R2 是烷基、烯基、炔基等；R4 是烷基、环烷基等；R5 是碳环或杂环； 或其无毒盐。 式（I）化合物可与前列腺素 E2 受体，特别是 EP3 受体和/或 EP4 受体结合，显示出拮抗活性，可用于预防和/或治疗疾病，例如疼痛、过敏、老年痴呆症、癌症。