5-methoxy-3-morpholino-1H-isochromen-1-one | 1239347-82-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 5-methoxy-3-morpholino-1H-isochromen-1-one
• 英文别名: 5-methoxy-3-morpholin-4-ylisochromen-1-one
• CAS: 1239347-82-0
• 化学式: C₁₄H₁₅NO₄
• 分子量: 261.277
• InChiKey: ZREATCYJAADOMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 氯甲酸乙酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 5-methoxy-3-morpholino-1H-isochromen-1-one
  参考文献：
  名称：

  Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors

  摘要：

  Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.102

文献信息

• Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors
  作者：Sara L. Payne、Sonsoles Rodriguez-Aristegui、Julia Bardos、Céline Cano、Bernard T. Golding、Ian R. Hardcastle、Marcus Peacock、Nahida Parveen、Roger J. Griffin

  DOI：10.1016/j.bmcl.2010.04.102

  日期：2010.6

  Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone. (C) 2010 Elsevier Ltd. All rights reserved.