2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid | 265129-72-4

• 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: 2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
• 英文别名: 2-[4-[2-[cyclohexylcarbamoyl-[2-(4-phenylphenyl)ethyl]amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid
• CAS: 265129-72-4
• 化学式: C₃₃H₄₀N₂O₃S
• 分子量: 544.758
• InChiKey: YPCVJZIGKJSYKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-联苯乙酸 、 环己基异氰酸酯 、 2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]sulfanyl-2-methylpropanoic acid 生成 2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
  参考文献：
  名称：

  Identification of a subtype selective human PPARα agonist through parallel-array synthesis

  摘要：

  Using solid-phase, parallel-array synthesis, a series of urea-substituted thioisobutyric acids was synthesized and assayed for activity on the human PPAR subtypes. GW7647 (3) was identified as a potent human PPAR alpha agonist with similar to 200-fold selectivity over PPAR gamma and PPAR delta, and potent lipid-lowering activity in animal models of dyslipidemia. GW7647 (3) will be a valuable chemical tool for studying the biology of PPAR alpha in human cells and animal models of disease. (C) 2001 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00188-3

文献信息

• Combinations of peroxisome proliferator-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor
  申请人：Pharmacia Corporation

  公开号：US20030212138A1

  公开（公告）日：2003-11-13

  Methods for the treatment, prevention, or inhibition of pain, inflammation, or inflammation-related disorder, and for the treatment or inhibition of cardiovascular disease or disorder, and for the treatment or inhibition of cancer, and for the treatment of Alzheimer's disease in a subject in need of such treatment, prevention, or inhibition, include treating the subject with a peroxisome proliferator activated receptor-&agr; agonist and a cyclooxygenase-2 selective inhibitor or prodrug thereof. Compositions, pharmaceutical compositions and kits for effecting the particular methods are also described.

  用于治疗、预防或抑制疼痛、炎症或与炎症相关的疾病，以及用于治疗或抑制心血管疾病或疾病，以及用于治疗或抑制癌症，以及用于治疗患有阿尔茨海默病的患者的方法包括使用过氧化物酶体增殖物激活受体-α激动剂和环氧合酶-2选择性抑制剂或其前体治疗患者。还描述了用于实施特定方法的组合物、药物组合物和工具包。
• UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1149063A2

  公开（公告）日：2001-10-31
• COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR
  申请人：Pharmacia Corporation

  公开号：EP1569640A2

  公开（公告）日：2005-09-07
• EP1569640A4
  申请人：——

  公开号：EP1569640A4

  公开（公告）日：2006-06-21
• COMPOUNDS AND METHODS FOR TREATING NON-INFLAMMATORY PAIN USING PPARALPHA AGONISTS
  申请人：The Regents of the University of California

  公开号：EP1742626A2

  公开（公告）日：2007-01-17