N-(2-aminoethyl)-N-cyclohexylurea | 75930-39-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-(2-aminoethyl)-N-cyclohexylurea
• 英文别名: 1-(2-Aminoethyl)-3-cyclohexylurea
• CAS: 75930-39-1
• 化学式: C₉H₁₉N₃O
• mdl: MFCD12772320
• 分子量: 185.269
• InChiKey: LTIKDZKOHCAGRM-UHFFFAOYSA-N

物化性质

• 沸点：
  390.5±21.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-aminoethyl)-N-cyclohexylurea 在 甲酸 、 二苯基膦叠氮化物 、 三乙胺 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.5h， 生成 N-<2-(3-cyclohexyl-1-nitrosoureido)ethyl>-1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-β-D-ribofuranuronamide
  参考文献：
  名称：

  Potential inhibitors of nucleotide biosynthesis. 1. Nitrosoureidonucleosides. 2

  摘要：

  Several nitrosoureidonucleosides (9a, 9b, 11a, 11b, 18 and 20) designed as inhibitors of enzymes that metabolize purine and pyrimidine nucleotides have been prepared and their chemical and biological properties studied. The low level of biological activity observed may be due to the unexpected stability of these nitrosoureas compared to biologically active compounds such as N-methyl-N-nitrosourea (MNU), N,N'-bis(2-chloroethyl)-N'-nitrosourea (BCNU), and N,N'-dicyclohexyl-N-nitrosourea (DCyNU).

  DOI：

  10.1021/jm00134a011
• 作为产物：
  描述：

  环己基异氰酸酯 、 异氰酸甲酯 以 氯仿 为溶剂， 反应 2.0h， 以55%的产率得到N-(2-aminoethyl)-N-cyclohexylurea
  参考文献：
  名称：

  Potential inhibitors of nucleotide biosynthesis. 1. Nitrosoureidonucleosides. 2

  摘要：

  Several nitrosoureidonucleosides (9a, 9b, 11a, 11b, 18 and 20) designed as inhibitors of enzymes that metabolize purine and pyrimidine nucleotides have been prepared and their chemical and biological properties studied. The low level of biological activity observed may be due to the unexpected stability of these nitrosoureas compared to biologically active compounds such as N-methyl-N-nitrosourea (MNU), N,N'-bis(2-chloroethyl)-N'-nitrosourea (BCNU), and N,N'-dicyclohexyl-N-nitrosourea (DCyNU).

  DOI：

  10.1021/jm00134a011

文献信息

• .beta.-Adrenergic blocking agents. 22. 1-Phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00353a004

  日期：1982.11

  The synthesis of a series of 1-phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols is described. Many of the compounds are more potent than propanolol as beta blockers, while having cardioselectivity comparable to that of practolol, when given intravenously to anesthetized cats. The structure-activity relationships shown by this series of compounds provide further evidence that the addition of substituents to the alkylamino moeity of a beta blocker can confer cardioselectivity and that amidic substituents are remarkably effective.
• LARGE, M. S.;SMITH, L. H., J. MED. CHEM., 1982, 25, N 11, 1286-1292
  作者：LARGE, M. S.、SMITH, L. H.

  DOI：——

  日期：——
• Potential inhibitors of nucleotide biosynthesis. 1. Nitrosoureidonucleosides. 2
  作者：John A. Montgomery、H. Jeanette Thomas、R. Wallace Brockman、Glynn P. Wheeler

  DOI：10.1021/jm00134a011

  日期：1981.2

  Several nitrosoureidonucleosides (9a, 9b, 11a, 11b, 18 and 20) designed as inhibitors of enzymes that metabolize purine and pyrimidine nucleotides have been prepared and their chemical and biological properties studied. The low level of biological activity observed may be due to the unexpected stability of these nitrosoureas compared to biologically active compounds such as N-methyl-N-nitrosourea (MNU), N,N'-bis(2-chloroethyl)-N'-nitrosourea (BCNU), and N,N'-dicyclohexyl-N-nitrosourea (DCyNU).