2-(5-Benzyl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopentyl-acetamide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(5-Benzyl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopentyl-acetamide
• 英文别名: 2-[[5-benzyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
• 化学式: C₂₁H₂₄N₄O₂S
• 分子量: 396.5
• InChiKey: GUOHQQVAMZJYCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS MODULATORS OF BETA-CATENIN / TCF4 INTERACTION<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QUE MODULATEURS DE L'INTERACTION BÊTA-CATÉNINE/TCF4
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2021045686A1

  公开（公告）日：2021-03-11

  Provided herein are compounds that are useful for or methods of inhibiting β-catenin or disrupting the interaction between β-catenin and T-cell factor 4, which are useful in the treatment of diseases or health conditions, such as cancer, neurodegenerative, a metabolic disease, a cardiovascular disease, fibrosis, and a bone disease. In one aspect, the compounds have Formula 1 wherein R1 is -(CR4 2)mXR5; R2 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, heterocycloalkyl, heterocycloalkenyl, aryl, aralkyl, heteroaralkyl, or heteroaryl; and R3 is -(CR6 2)nR7. (I)