D11-2040 | 577773-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: D11-2040
• 英文别名: 1-[(3S)-3-(Dimethylamino)pyrrolidin-1-yl]-3-methyl-2-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
• CAS: 577773-79-6
• 化学式: C₂₅H₂₅N₅
• 分子量: 395.507
• InChiKey: GBFXFTNXIIOARQ-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-chloro-3-methyl-2-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile 、 (3S)-(-)-3-(二甲氨基)吡咯烷 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以56%的产率得到D11-2040
  参考文献：
  名称：

  Novel pyridobenzimidazole derivatives exhibiting antifungal activity by the inhibition of β-1,6-glucan synthesis

  摘要：

  Based on the HTS hit compound 1a, an inhibitor of beta-1,6-glucan synthesis, we synthesized novel pyridobenzimidazole derivatives and evaluated their antifungal activity. Among the compounds synthesized, we identified the potent compound 15e, which exhibits excellent activity superior to fluconazole against both Candida glabrata and Candida krusei. From the SAR study, we revealed essential moieties for antifungal activity. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.024

文献信息

• Novel pyridobenzimidazole derivatives exhibiting antifungal activity by the inhibition of β-1,6-glucan synthesis
  作者：Hiroshi Takeshita、Jun Watanabe、Yoichi Kimura、Katsuhiro Kawakami、Hisashi Takahashi、Makoto Takemura、Akihiro Kitamura、Kazuhiko Someya、Ryohei Nakajima

  DOI：10.1016/j.bmcl.2010.05.024

  日期：2010.7

  Based on the HTS hit compound 1a, an inhibitor of beta-1,6-glucan synthesis, we synthesized novel pyridobenzimidazole derivatives and evaluated their antifungal activity. Among the compounds synthesized, we identified the potent compound 15e, which exhibits excellent activity superior to fluconazole against both Candida glabrata and Candida krusei. From the SAR study, we revealed essential moieties for antifungal activity. (c) 2010 Elsevier Ltd. All rights reserved.