2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]-N-propan-2-ylacetamide

• 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-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]-N-propan-2-ylacetamide
• 化学式: C₂₂H₃₀N₆O₂S
• 分子量: 442.6
• InChiKey: XQMPVDPVEROZGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• INHIBITORS OF dUTPase
  申请人：Ladner Robert D.

  公开号：US20110212467A1

  公开（公告）日：2011-09-01

  Evidence demonstrating that elevated expression of dUTPase protects breast cancer cells from the expansion of the intracellular uracil pool, translating to reduced growth inhibition following treatment with 5-FU is provided. The implementation of in silica drug development techniques to identify and develop small molecule inhibitors of dUTPase are reported. As 5-FU and the oral 5-FU pro-drug capecitabine remain central agents in the treatment of a variety of malignancies, the clinical utility of a small molecule inhibitor to dUTPase represents a viable strategy to improve the clinical efficacy of these mainstay chemotherapeutic agents.
• [EN] INHIBITORS OF DUTPASE<br/>[FR] INHIBITEURS DE DUTPASE
  申请人：UNIVERSTIY OF SOUTHERN CALIFOR

  公开号：WO2010025308A2

  公开（公告）日：2010-03-04

  Evidence demonstrating that elevated expression of dUTPase protects breast cancer cells from the expansion of the intracellular uracil pool, translating to reduced growth inhibition following treatment with 5-FU is provided. The implementation of in silico drug development techniques to identify and develop small molecule inhibitors of dUTPase are reported. As 5-FU and the oral 5-FU pro-drug capecitabine remain central agents in the treatment of a variety of malignancies, the clinical utility of a small molecule inhibitor to dUTPase represents a viable strategy to improve the clinical efficacy of these mainstay chemotherapeutic agents.