2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole
• 化学式: C₁₆H₁₂N₄OS
• 分子量: 308.4
• InChiKey: GVEZPHNCZIZTAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  92.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• METHOD FOR INHIBITING MMP-9 DIMERIZATION
  申请人：CAO Jian

  公开号：US20120277236A1

  公开（公告）日：2012-11-01

  A method of inhibiting matrix metalloproteinase 9 (MMP-9) dimerization without substantially inhibiting the catalytic activity of MMP-9, comprising contacting the MMP-9 with a small molecule compound of the structure wherein A is a ring structure which is substituted by R 2 , R 3 and R 4 ; X is present or absent and when present is NH, O, ester or N-monosubstituted amide; Z is S, O, or N; n is an integer from 0-5; R 1 is alkyl, aryl, heteroalkyl, or heteroaryl, each with or without substitution; and R 2 , R 3 , and R 4 is each present or absent, and is each independently H, alkyl, aryl, heteroalkyl, heteroaryl, each with or without substitution, or a pharmaceutically acceptable salt thereof.