3,4,6a,9,10-pentaacetoxy-6,6a,7,11b-tetrahydro-indeno[2,1-c]chromene | 1621-53-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,4,6a,9,10-pentaacetoxy-6,6a,7,11b-tetrahydro-indeno[2,1-c]chromene
• 英文别名: 3,4,6A,9,10-pentaacetoxy-6,6a,7,11b-tetrahydro-indeno[2,1-c]chromen；Haematoxylinpentaacetat；Pentaacetylhaematoxylon；(4,6a,9,10-tetraacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl) acetate
• CAS: 1621-53-0
• 化学式: C₂₆H₂₄O₁₁
• 分子量: 512.47
• InChiKey: RMFFJFHEJIFSDI-UHFFFAOYSA-N

物化性质

• 熔点：
  241-243 °C
• 沸点：
  612.686±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.427±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  141
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3,4,6a,9,10-pentaacetoxy-6,6a,7,11b-tetrahydro-indeno[2,1-c]chromene 、 alkaline earth salt of/the/ methylsulfuric acid 生成 碳酸 、 草酸
  参考文献：
  名称：

  Dralle, Chemische Berichte, 1884, vol. 17, p. 376

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3,4,6a,9,10-pentaacetoxy-6,6a,7,11b-tetrahydro-indeno[2,1-c]chromene
  参考文献：
  名称：

  Erdmann,E.; Schultz,G., Justus Liebigs Annalen der Chemie, 1883, vol. 216, p. 232

  摘要：

  DOI：

文献信息

• Reim, Chemische Berichte, 1871, vol. 4, p. 334
  作者：Reim

  DOI：——

  日期：——
• Mechanism of biochemical action of substituted 4-methylbenzopyran-2-ones. Part 10: identification of inhibitors for the liver microsomal acetoxycoumarin: protein transacetylase
  作者：Hanumantharao G Raj、Ishwar Singh、Ekta Kohli、Ranju Kumari、Garima Gupta、Yogesh K Tyagi、Ajit Kumar、Ashok K Prasad、Narendra K Kaushik、Carl E Olsen、Arthur C Watterson、Virinder S Parmar

  DOI：10.1016/s0968-0896(02)00515-1

  日期：2003.3

  The quantitative structure-activity relationship (QSAR) studies conducted by us earlier revealed the cardinal role of the pyran ring carbonyl group in the acetoxy polyphenolic compounds for the acetoxy polyphenol: protein transacetylase (TAase) activity. Hence, an attempt was made to examine whether such substrate analogues of benzopyran acetates which lack in the pyran ring carbonyl group, such as 7-acetoxy-2,3-dihydro-2,2-dimethylbenzopyran (BPA), cetachin pentaacetate (CPA) and hematoxylin pentaacetate (HPA) could inhibit the 7,8-diacetoxy-4-methylcoumarin (DAMC):protein (glutathione-S-transferase) transacetylase activity. These compounds were indeed found to remarkably inhibit the TAase activity in a concentration dependent manner and exerted their inhibitory action very rapidly. Further BPA, CPA and HPA were found to abolish the TAase mediated activation of NADPH cytochrome C reductase as well as the inhibition of liver microsome catalyzed aflatoxin B, (AFB(1))-DNA binding by DAMC very effectively. These results strongly suggest that the acetoxybenzopyrans merit as potent inhibitors of TAase. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Buchka, Chemische Berichte, 1884, vol. 17, p. 685
  作者：Buchka

  DOI：——

  日期：——
• Dralle, Chemische Berichte, 1884, vol. 17, p. 376
  作者：Dralle

  DOI：——

  日期：——
• Erdmann,E.; Schultz,G., Justus Liebigs Annalen der Chemie, 1883, vol. 216, p. 232
  作者：Erdmann,E.、Schultz,G.

  DOI：——

  日期：——