(5-{5-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyridin-3-yl}-2H-tetrazol-2-yl)acetic acid | 1213234-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (5-{5-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyridin-3-yl}-2H-tetrazol-2-yl)acetic acid
• 英文别名: 2-[5-[5-[1-[(3,4,5-Trichlorophenyl)methyl]triazol-4-yl]pyridin-3-yl]tetrazol-2-yl]acetic acid
• CAS: 1213234-77-5
• 化学式: C₁₇H₁₁Cl₃N₈O₂
• 分子量: 465.686
• InChiKey: PPQBHFVYUIMJRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE
  申请人：Leclerc Jean-Philippe

  公开号：US20110152295A1

  公开（公告）日：2011-06-23

  Heteroaromatic compounds of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

  结构式I的杂环芳香化合物相对于其他已知的硬脂酰辅酶A去饱和酶(SCD1)，是选择性抑制剂。本发明的化合物对于预防和治疗与异常脂质合成和代谢相关的疾病非常有用，包括心血管疾病，如动脉粥样硬化；肥胖；糖尿病；神经系统疾病；代谢综合征；胰岛素抵抗；和肝脂肪变性。
• [EN] HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE<br/>[FR] COMPOSES HETEROAROMATIQUES UTILISES EN TANT QU'INHIBITEURS DE LA STEAROYLE-COENZYME A DELTA-9 DESATURASE
  申请人：MERCK FROSST CANADA LTD

  公开号：WO2010025553A1

  公开（公告）日：2010-03-11

  Heteroaromatic compounds of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

  结构式I的杂环芳香化合物是选择性抑制硬脂酰辅酶A delta-9去饱和酶（SCD1）相对于其他已知的硬脂酰辅酶A去饱和酶的化合物。本发明的化合物可用于预防和治疗与异常脂质合成和代谢有关的疾病，包括心血管疾病，如动脉硬化; 肥胖症; 糖尿病; 神经系统疾病; 代谢综合症; 胰岛素抵抗和肝脂肪变性。