cis,cis-1,3,5-triaminocyclohexane-tris(O-tert-butylglycolamide) | 658052-15-4

• 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: cis,cis-1,3,5-triaminocyclohexane-tris(O-tert-butylglycolamide)
• CAS: 658052-15-4
• 化学式: C₂₄H₄₅N₃O₆
• 分子量: 471.638
• InChiKey: HJSYOYYBWPZQOJ-BCDXTJNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  114.99
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  cis,cis-1,3,5-triaminocyclohexane-tris(O-tert-butylglycolamide) 在 硼烷四氢呋喃络合物 、 盐酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 42.0h， 以63.4%的产率得到N,N',N''-tri(2-hydroxyethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride
  参考文献：
  名称：

  Evaluation of copper chelation agents as anti-angiogenic therapy

  摘要：

  The design, synthesis and evaluation of N,N',N"-tris(2-pyridylmethyl)-cis,cis-1,3,5,-triaminocyclohexane (tachpyr, 1) derivatives as novel anti-angiogenic agents were performed in an in vitro endothelial cell proliferation assay to assess their cytotoxicity and selectivity. The selective nature of the anti-angiogenic agents for human umbilical vein endothelial cells (HUvec) was compared to a normal fibroblast cell line and a human Glioma cell line to evaluate these compounds. N,N',N"-tris(2-mercaptoethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride (3b) was superior to tachpyr in terms of selectivity of its inhibitory activity toward the proliferation of Huvec compared to the fibroblast and human Glioma cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00401-2
• 作为产物：
  描述：

  叔丁氧基乙酸 在 sodium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 36.0h， 生成 cis,cis-1,3,5-triaminocyclohexane-tris(O-tert-butylglycolamide)
  参考文献：
  名称：

  Evaluation of copper chelation agents as anti-angiogenic therapy

  摘要：

  The design, synthesis and evaluation of N,N',N"-tris(2-pyridylmethyl)-cis,cis-1,3,5,-triaminocyclohexane (tachpyr, 1) derivatives as novel anti-angiogenic agents were performed in an in vitro endothelial cell proliferation assay to assess their cytotoxicity and selectivity. The selective nature of the anti-angiogenic agents for human umbilical vein endothelial cells (HUvec) was compared to a normal fibroblast cell line and a human Glioma cell line to evaluate these compounds. N,N',N"-tris(2-mercaptoethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride (3b) was superior to tachpyr in terms of selectivity of its inhibitory activity toward the proliferation of Huvec compared to the fibroblast and human Glioma cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00401-2