7-[(7-Methoxy-2-oxochromen-4-yl)methoxy]-8-(3-methylbutyl)chromen-2-one | 1261244-26-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-[(7-Methoxy-2-oxochromen-4-yl)methoxy]-8-(3-methylbutyl)chromen-2-one
• CAS: 1261244-26-1
• 化学式: C₂₅H₂₄O₆
• 分子量: 420.462
• InChiKey: GVCGQQYPPWHOSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-[(7-Methoxy-2-oxochromen-4-yl)methoxy]-8-(3-methylbutyl)chromen-2-one 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 7-[(7-Hydroxy-2-oxochromen-4-yl)methoxy]-8-(3-methylbutyl)chromen-2-one
  参考文献：
  名称：

  Discovery of novel osthole derivatives as potential anti-breast cancer treatment

  摘要：

  Osthole, an ingredient of Traditional Chinese Medicine (TCM) from natural product Cnidium monnieri (L.) Cusson, was used as a lead compound for structural modification. A series of osthole derivatives bearing aryl substituents at 3-position of coumarin, has been prepared and evaluated for their growth inhibitory activity against human breast cancer cell lines MCF-7 and MDA-MB-231. Interestingly, some derivatives exhibited good inhibition, among them compound 8e was found to be the most potent compound with IC50 values of 0.24 mu M, 0.31 mu M against MCF-7 and MDA-MB-231, respectively, which was improved more than 100-folds compared with its parent compound osthole. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.027
• 作为产物：
  描述：

  4-溴甲基-7-甲氧基香豆素 、 8-isopentyl-7-hydroxy-2H-chromen-2-one 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-[(7-Methoxy-2-oxochromen-4-yl)methoxy]-8-(3-methylbutyl)chromen-2-one
  参考文献：
  名称：

  Discovery of novel osthole derivatives as potential anti-breast cancer treatment

  摘要：

  Osthole, an ingredient of Traditional Chinese Medicine (TCM) from natural product Cnidium monnieri (L.) Cusson, was used as a lead compound for structural modification. A series of osthole derivatives bearing aryl substituents at 3-position of coumarin, has been prepared and evaluated for their growth inhibitory activity against human breast cancer cell lines MCF-7 and MDA-MB-231. Interestingly, some derivatives exhibited good inhibition, among them compound 8e was found to be the most potent compound with IC50 values of 0.24 mu M, 0.31 mu M against MCF-7 and MDA-MB-231, respectively, which was improved more than 100-folds compared with its parent compound osthole. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.027

文献信息

• Discovery of novel osthole derivatives as potential anti-breast cancer treatment
  作者：Lisha You、Rui An、Xinhong Wang、Yimin Li

  DOI：10.1016/j.bmcl.2010.10.027

  日期：2010.12

  Osthole, an ingredient of Traditional Chinese Medicine (TCM) from natural product Cnidium monnieri (L.) Cusson, was used as a lead compound for structural modification. A series of osthole derivatives bearing aryl substituents at 3-position of coumarin, has been prepared and evaluated for their growth inhibitory activity against human breast cancer cell lines MCF-7 and MDA-MB-231. Interestingly, some derivatives exhibited good inhibition, among them compound 8e was found to be the most potent compound with IC50 values of 0.24 mu M, 0.31 mu M against MCF-7 and MDA-MB-231, respectively, which was improved more than 100-folds compared with its parent compound osthole. (C) 2010 Elsevier Ltd. All rights reserved.