1-(biphenyl-4-yl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(biphenyl-4-yl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
• 英文别名: 2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
• 化学式: C₂₉H₂₅N₃O₃S
• 分子量: 495.6
• InChiKey: KRYMERGNBAFLMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  6

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)