1,2,11,12-Tetrahydro-3H,10H-naphtho<1,2-b:7,8-b>dipyran-3,10-dione | 79928-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 1,2,11,12-Tetrahydro-3H,10H-naphtho<1,2-b:7,8-b>dipyran-3,10-dione
• 英文别名: 1,2,11,12-Tetrahydro-3H,10H-naphtho[1,2-b:7,8-b]dipyran-3,10-dione；1,2,11,12-Tetrahydrochromeno[5,6-f]chromene-3,10-dione
• CAS: 79928-78-2
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: TZDMNFIBGIMXDA-UHFFFAOYSA-N

物化性质

• 熔点：
  248-250 °C
• 沸点：
  504.8±45.0 °C(Predicted)
• 密度：
  1.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,7-二羟基萘 、 丙烯酸 在 PPA 作用下， 反应 4.0h， 以30%的产率得到1,2,11,12-Tetrahydro-3H,10H-naphtho<1,2-b:7,8-b>dipyran-3,10-dione
  参考文献：
  名称：

  Merchant, J. R.; Upasani, R. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 8, p. 711 - 712

  摘要：

  DOI：

文献信息

• Inhibitors of Sir2:  Evaluation of Splitomicin Analogues
  作者：Jeff Posakony、Maki Hirao、Sam Stevens、Julian A. Simon、Antonio Bedalov

  DOI：10.1021/jm030473r

  日期：2004.5.1

  Splitomicin (1) and 41 analogues were prepared and evaluated in cell-based Sir2 inhibition and toxicity assays and an in vitro Sir2 inhibition assay. Lactone ring or naphthalene (positions 7-9) substituents decrease activity, but other naphthalene substitutions (positions 5 and 6) are well-tolerated. The hydrolytically unstable aromatic lactone is important for activity. Lactone hydrolysis rates were used as a measure of reactivity; hydrolysis rates correlate with inhibitory activity. The most potent Sir2 inhibitors were structurally similar to and had hydrolysis rates similar to 1.
• MERCHANT, J. R.;UPASANI, R. B., INDIAN J. CHEM., 1981, 20, N 8, 711-712
  作者：MERCHANT, J. R.、UPASANI, R. B.

  DOI：——

  日期：——
• Merchant, J. R.; Upasani, R. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 8, p. 711 - 712
  作者：Merchant, J. R.、Upasani, R. B.

  DOI：——

  日期：——