5-Chloro-2-[(3-chlorobenzyl)oxy]benzoic acid | 62176-34-5

• 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: 5-Chloro-2-[(3-chlorobenzyl)oxy]benzoic acid
• 英文别名: 5-chloro-2-[(3-chlorophenyl)methoxy]benzoic acid
• CAS: 62176-34-5
• 化学式: C₁₄H₁₀Cl₂O₃
• mdl: MFCD02729193
• 分子量: 297.1
• InChiKey: MWKGNWWGIMBMEK-UHFFFAOYSA-N

物化性质

• 熔点：
  131-131.6 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  447.8±35.0 °C(Predicted)
• 密度：
  1.411±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] NOVEL EP4 RECEPTOR AGONIST COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS AGONISTES DES RÉCEPTEURS EP4
  申请人：GLAXO GROUP LTD

  公开号：WO2009147165A1

  公开（公告）日：2009-12-10

  A compound selected from the group consisting of: (3-chloro-4-[(5-chloro-2-[(2- chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}phenyl)acetic acid; 4-[(5-chloro-2-[(phenylmethyl)oxy]phenyl}carbonyl)amino]phenyl}acetic acid; 3-chloro-4-[(5-chloro-2-[(phenylmethyl)oxy]phenyl}carbonyl)amino]phenyl}acetic acid; (3-chloro-4-[(5-chloro-2-[(3- chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}phenyl)acetic acid; 4-[(2-[(phenylmethyl)oxy]phenyl}carbonyl)amino]phenyl}acetic acid; (4-[(5-chloro-2-[(3-chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}-2- fluorophenyl)acetic acid; 3-chloro-4-[(2-[(phenylmethyl)oxy]phenyl}carbonyl)amino]phenyl}acetic acid; (3-chloro-4-[(2-[(3-chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}phenyl)acetic acid; 4-[(2-chloro-6-[(phenylmethyl)oxy]phenyl}carbonyl)amino]phenyl}acetic acid; (4-[(2-chloro-6-[(3-chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}phenyl)acetic acid; 4-[(5-chloro-2-[(phenylmethyl)amino]phenyl}carbonyl)amino]phenyl}acetic acid; (4-[(5-chloro-2-[(3-chlorophenyl)methyl]amino}phenyl)carbonyl]amino}phenyl)acetic acid; and (4-[(5-chloro-2-[(2-chlorophenyl)methyl]amino}phenyl)carbonyl]amino}phenyl)acetic acid, or pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  从以下组中选择的化合物：（3-氯-4-[(5-氯-2-[(2-氯苯基)甲氧基}苯基)羰基]氨基}苯基）乙酸；4-[(5-氯-2-[(苯甲基)氧基]苯基}羰基)氨基]苯基}乙酸；3-氯-4-[(5-氯-2-[(苯甲基)氧基]苯基}羰基)氨基]苯基}乙酸；（3-氯-4-[(5-氯-2-[(3-氯苯基)甲氧基}苯基)羰基]氨基}苯基）乙酸；4-[(2-[(苯甲基)氧基]苯基}羰基)氨基]苯基}乙酸；（4-[(5-氯-2-[(3-氯苯基)甲氧基}苯基)羰基]氨基}-2-氟苯基）乙酸；3-氯-4-[(2-[(苯甲基)氧基]苯基}羰基)氨基]苯基}乙酸；（3-氯-4-[(2-[(3-氯苯基)甲氧基}苯基)羰基]氨基}苯基）乙酸；4-[(2-氯-6-[(苯甲基)氧基]苯基}羰基)氨基]苯基}乙酸；（4-[(2-氯-6-[(3-氯苯基)甲氧基}苯基)羰基]氨基}苯基）乙酸；4-[(5-氯-2-[(苯甲基)氨基]苯基}羰基)氨基]苯基}乙酸；（4-[(5-氯-2-[(3-氯苯基)甲氨基}苯基)羰基]氨基}苯基）乙酸；和（4-[(5-氯-2-[(2-氯苯基)甲氨基}苯基)羰基]氨基}苯基）乙酸，或其药学上可接受的盐，包含这些化合物的药物组合物以及这些化合物在医学上的用途。