2,3-bis-piperidin-1-ylmethyl-naphthalene-1,4-diol | 20351-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,3-bis-piperidin-1-ylmethyl-naphthalene-1,4-diol
• 英文别名: 2,3-Bis-piperidinomethyl-1,4-naphthohydrochinon；2,3-bis(piperidin-1-ylmethyl)naphthalene-1,4-diol
• CAS: 20351-61-5
• 化学式: C₂₂H₃₀N₂O₂
• 分子量: 354.492
• InChiKey: RIVYFXTYFBXTMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,3-bis-piperidin-1-ylmethyl-naphthalene-1,4-diol 在 chromium(VI) oxide 、 溶剂黄146 作用下， 反应 0.17h， 以16%的产率得到2,3-diformyl-1,4-naphthoquinol
  参考文献：
  名称：

  Synthesis and antineoplastic activity of hydroquinone dialdehydes

  摘要：

  A number of hydroquinone dialdehydes and structurally related compounds were synthesized and tested for antineoplastic efficacy against transplanted murine tumors. 3,6-Dihydroxy-4,5-dimethylphthalaldehyde,3,6-dihydroxy-4,5-dipropylphthalaldehyde, and 3,6-dihydroxy-4,5-dimethylphthalaldehyde hemialdal tetraacetate significantly prolonged the survival time of mice bearing either Sarcoma 180, Ehrlich carcinoma, or adenocarcinoma 755 ascites tumors. In addition, these agents were cytotoxic to Sarcoma 180 cells in culture at concentrations in the range of 25-30 microM.

  DOI：

  10.1021/jm00180a009
• 作为产物：
  描述：

  哌啶 、 聚合甲醛 、 1,4-二羟基萘 以 乙醇 为溶剂， 反应 1.0h， 生成 2,3-bis-piperidin-1-ylmethyl-naphthalene-1,4-diol
  参考文献：
  名称：

  Synthesis and antineoplastic activity of hydroquinone dialdehydes

  摘要：

  A number of hydroquinone dialdehydes and structurally related compounds were synthesized and tested for antineoplastic efficacy against transplanted murine tumors. 3,6-Dihydroxy-4,5-dimethylphthalaldehyde,3,6-dihydroxy-4,5-dipropylphthalaldehyde, and 3,6-dihydroxy-4,5-dimethylphthalaldehyde hemialdal tetraacetate significantly prolonged the survival time of mice bearing either Sarcoma 180, Ehrlich carcinoma, or adenocarcinoma 755 ascites tumors. In addition, these agents were cytotoxic to Sarcoma 180 cells in culture at concentrations in the range of 25-30 microM.

  DOI：

  10.1021/jm00180a009

文献信息

• NEWMAN E. M.; LIN AI JENG; SARTORELLI A. C., J. MED. CHEM., 1980, 23, NO 6, 627-631
  作者：NEWMAN E. M.、 LIN AI JENG、 SARTORELLI A. C.

  DOI：——

  日期：——