2-(羟甲基)-7-甲基咪唑并[1,2-A]吡啶 | 1216294-32-4

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 2-(羟甲基)-7-甲基咪唑并[1,2-A]吡啶
• 英文名称: (7-Methylimidazo[1,2-a]pyridin-2-yl)methanol
• CAS: 1216294-32-4
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: VNNCXDKQWHXZMU-UHFFFAOYSA-N

物化性质

• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-(羟甲基)-7-甲基咪唑并[1,2-A]吡啶 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 生成 (3-Bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methanol
  参考文献：
  名称：

  Discovery of Imidazopyridine Derivatives as Highly Potent Respiratory Syncytial Virus Fusion Inhibitors

  摘要：

  A series of imidazolepyridine derivatives were designed and synthesized according to the established docking studies. The imidazopyridine derivatives were found to have good potency and physical-chemical properties. Several highly potent compounds such as 8ji, 8j1, and 8jm were identified with single nanomolar activities. The most potent compound 8jrn showed an IC50 of 3 nM, lower nnicrosome clearance and no CYP inhibition. The profile of 8jrn appeared to be superior to BMS433771, and supported further optimization.

  DOI：

  10.1021/acsmedchemlett.5b00008
• 作为产物：
  描述：

  7-甲基咪唑并[1,2-A]砒啶-2-羧酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-(羟甲基)-7-甲基咪唑并[1,2-A]吡啶
  参考文献：
  名称：

  Discovery of Imidazopyridine Derivatives as Highly Potent Respiratory Syncytial Virus Fusion Inhibitors

  摘要：

  A series of imidazolepyridine derivatives were designed and synthesized according to the established docking studies. The imidazopyridine derivatives were found to have good potency and physical-chemical properties. Several highly potent compounds such as 8ji, 8j1, and 8jm were identified with single nanomolar activities. The most potent compound 8jrn showed an IC50 of 3 nM, lower nnicrosome clearance and no CYP inhibition. The profile of 8jrn appeared to be superior to BMS433771, and supported further optimization.

  DOI：

  10.1021/acsmedchemlett.5b00008

文献信息

• US5270322A
  申请人：——

  公开号：US5270322A

  公开（公告）日：1993-12-14
• Discovery of Imidazopyridine Derivatives as Highly Potent Respiratory Syncytial Virus Fusion Inhibitors
  作者：Song Feng、Di Hong、Baoxia Wang、Xiufang Zheng、Kun Miao、Lisha Wang、Hongying Yun、Lu Gao、Shuhai Zhao、Hong C. Shen

  DOI：10.1021/acsmedchemlett.5b00008

  日期：2015.3.12

  A series of imidazolepyridine derivatives were designed and synthesized according to the established docking studies. The imidazopyridine derivatives were found to have good potency and physical-chemical properties. Several highly potent compounds such as 8ji, 8j1, and 8jm were identified with single nanomolar activities. The most potent compound 8jrn showed an IC50 of 3 nM, lower nnicrosome clearance and no CYP inhibition. The profile of 8jrn appeared to be superior to BMS433771, and supported further optimization.