3,3'-(1,6-hexanediyl)bis(5,5-diphenyl-2,4-imidazolinedione) | 105859-87-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3,3'-(1,6-hexanediyl)bis(5,5-diphenyl-2,4-imidazolinedione)
• 英文别名: N(3),N'(3)-hexamethylene-bis-5,5-diphenylhydantoin；2, 3,3'-(1,6-Hexanediyl)bis[5,5-diphenyl-；3-[6-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)hexyl]-5,5-diphenylimidazolidine-2,4-dione
• CAS: 105859-87-8
• 化学式: C₃₆H₃₄N₄O₄
• 分子量: 586.69
• InChiKey: XMIQQJAGAZZTDB-UHFFFAOYSA-N

物化性质

• 熔点：
  261-263 °C(Solv: acetone (67-64-1))
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  98.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,6-二溴己烷 、 苯妥英 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以62%的产率得到3,3'-(1,6-hexanediyl)bis(5,5-diphenyl-2,4-imidazolinedione)
  参考文献：
  名称：

  Poupaert, Jacques H.; Mergen, Frank; Lerot, Therese, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 6, p. 469 - 470

  摘要：

  DOI：

文献信息

• Chemical differentiating agents. Differentiation of HL-60 cells by hexamethylenebis[acetamide]analogs
  作者：Alberto Haces、Theodore R. Breitman、John S. Driscoll

  DOI：10.1021/jm00385a025

  日期：1987.2

  Hexamethylenebis[acetamide] (HMBA) is an agent in clinical trial that induces differentiation of certain types of tumor cells to nonmalignant phenotypes. In an attempt to discover a more potent compound, a number of bis-functionalized amides, imides, and hydrazine derivatives of HMBA were prepared and evaluated in vitro with the HL-60 human promyelocytic leukemia cell line. Among the compounds evaluated, the 5,5-dimethylhydantoin derivative is almost 10 times more potent than HMBA in inducing differentiation. The bis-imide, diacetyl-HMBA, is both more potent and effective than its parent compound. Six of the 16 compounds evaluated cause at least 20% differentiation. An inverse relationship between the degree of differentiation and the percentage of viable cells is described for HMBA and its analogues.
• HACES A.; BREITMAN T. R.; DRISCOLL J. S., J. MED. CHEM., 30,(1987) N 2, 405-409
  作者：HACES A.、 BREITMAN T. R.、 DRISCOLL J. S.

  DOI：——

  日期：——
• Poupaert, Jacques H.; Mergen, Frank; Lerot, Therese, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 6, p. 469 - 470
  作者：Poupaert, Jacques H.、Mergen, Frank、Lerot, Therese

  DOI：——

  日期：——