methyl 2(S)-ethoxy-3-{4-[5-(3-heptyl-1-methylureido)-2-methyl-2H-[1,2,4]triazol-3-yl]phenyl}propanoate | 817618-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2(S)-ethoxy-3-{4-[5-(3-heptyl-1-methylureido)-2-methyl-2H-[1,2,4]triazol-3-yl]phenyl}propanoate
• 英文别名: methyl (2S)-2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoate
• CAS: 817618-28-3
• 化学式: C₂₄H₃₇N₅O₄
• 分子量: 459.589
• InChiKey: VEEPZADRAZPFFU-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  98.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2(S)-ethoxy-3-{4-[5-(3-heptyl-1-methylureido)-2-methyl-2H-[1,2,4]triazol-3-yl]phenyl}propanoate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 水 为溶剂， 以83%的产率得到2(S)-ethoxy-3-{4-[5-(3-heptyl-1-methylureido)-2-methyl-2H-[1,2,4]triazol-3-yl]phenyl}propanoic acid
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS THAT MODULATE PPARgamma TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS
  [FR] NOUVEAUX COMPOSES QUI MODULENT LES RECEPTEURS DE TYPE PPAR DOLLAR G(G) ET UTILISATIONS DE CEUX-CI DANS DES COMPOSITIONS COSMETIQUES OU PHARMACEUTIQUES

  摘要：

  该发明涉及与下列一般式（I）相对应的新化合物：（I），以及用于制备它们的方法，以及它们在用于人类或兽医药物组合物中的用途（在皮肤病学以及心血管疾病、免疫疾病和/或与脂质代谢有关的疾病领域），或者在化妆品组合物中的用途。

  公开号：

  WO2004113331A1

文献信息

• Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof
  申请人：Clary Laurence

  公开号：US20060148862A1

  公开（公告）日：2006-07-06

  Novel compounds having the general formula (I) below: are useful in a wide variety of applications in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively are formulated into cosmetic compositions.

  具有以下一般式（I）的新化合物在人类或兽医学中具有广泛的应用（在皮肤病学中，以及在心血管疾病、免疫疾病和/或与脂质代谢有关的疾病领域），或者被制成化妆品组合物。
• METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS
  申请人：CLARY Laurence

  公开号：US20100099689A1

  公开（公告）日：2010-04-22

  Novel compounds having the general formula (I) below: are useful in a wide variety of applications in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively are formulated into cosmetic compositions.

  具有以下一般式（I）的新化合物在人类或兽医学中具有广泛的应用（在皮肤科以及心血管疾病、免疫疾病和/或与脂质代谢相关的疾病领域），或者被制成化妆品组合物。
• Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds
  申请人：Galderma Research & Development

  公开号：US07968560B2

  公开（公告）日：2011-06-28

  Novel compounds having the general formula (I) below: are useful in a wide variety of applications in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively are formulated into cosmetic compositions.

  具有以下通式（I）的新化合物在人类或兽医学中的广泛应用中具有用途（在皮肤科，以及心血管疾病，免疫疾病和/或与脂质代谢有关的领域），或者，可以制成化妆品组合物。
• Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds
  申请人：Clary Laurence

  公开号：US20100247468A1

  公开（公告）日：2010-09-30

  Novel compounds having the general formula (I) below: are useful in a wide variety of applications in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively are formulated into cosmetic compositions.

  具有以下一般式（I）的新化合物在人类或兽医学中有广泛的应用（在皮肤病学、心血管疾病、免疫疾病和/或与脂质代谢有关的疾病领域），或者被制成化妆品配方中。
• Methods of modulating PPAR gamma-type receptors
  申请人：Galderma Research & Development

  公开号：US08022079B2

  公开（公告）日：2011-09-20

  Novel compounds having the general formula (I) below: are useful in a wide variety of applications in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively are formulated into cosmetic compositions.

  具有以下一般式（I）的新型化合物在人类或兽医学中有广泛的应用（在皮肤病学以及心血管疾病、免疫疾病和/或与脂质代谢相关的疾病领域），或者被制成化妆品组合物。