1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3-yl}-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione | 959985-26-3

• 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: 1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3-yl}-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione
• 英文别名: 1-[6-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]pyridin-3-yl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
• CAS: 959985-26-3
• 化学式: C₂₅H₁₉ClN₆O₄
• 分子量: 502.917
• InChiKey: MYWFODDQTUULHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 尿素 在 sodium ethanolate 作用下， 生成 1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3-yl}-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione
  参考文献：
  名称：

  Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13

  摘要：

  Explorations in the pyrimidinetrione series of MMP-13 inhibitors led to the discovery of a series of spiro-fused compounds that are potent and selective inhibitiors of MMP-13. While other spiro-fused motifs are hydrolytically unstable, presumably due to electronic destabilization of the pyrimidinetrione ring, the spiropyrrolidine series does not share this liability. Greater than 100-fold selectivity versus other MMP family members was achieved by incorporation of an extended aryl-heteroaryl P1' group. When dosed as the sodium salt, these compounds displayed excellent oral absorption and pharmacokinetic properties. Despite the selectivity, a representative of this series produced fibroplasia in a 14 day rat study. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.085