1-(2-Aminoethyl)-3-prop-2-enylurea | 58027-14-8

• 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: 1-(2-Aminoethyl)-3-prop-2-enylurea
• CAS: 58027-14-8
• 化学式: C₆H₁₃N₃O
• mdl: MFCD16300789
• 分子量: 143.189
• InChiKey: LQPKBGNJCGBVDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1-(2-Aminoethyl)-3-prop-2-enylurea 、 苯基缩水甘油醚 在 sodium hydroxide 作用下， 以 丙醇 为溶剂， 反应 18.0h， 以22%的产率得到1-[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl]-3-prop-2-enylurea
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents. 22. 1-Phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols

  摘要：

  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.

  DOI：

  10.1021/jm00353a004
• 作为产物：
  描述：

  3-异氰酸丙烯 、 乙二胺 生成 1-(2-Aminoethyl)-3-prop-2-enylurea
  参考文献：
  名称：

  CH605666

  摘要：

  公开号：

文献信息

• .beta.-Adrenergic blocking agents. 19. 1-Phenyl-2-[[(substituted-amido)alkyl]amino]ethanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00176a002

  日期：1980.2

  series of derivatives of 1-phenyl-2-[[(substituted amido)alkyl]amino]ethanols is described. The compounds were investigated for beta-adrenoceptor blocking properties, and many showed a surprising degree of potency and beta 1-cardioselectivity when tested in vivo in anesthetized cats. The structure-activity relationships shown by this series of compounds are discussed and related to known beta-adrenergic

  描述了1-苯基-2-[[（取代的酰胺基烷基）氨基]氨基]乙醇的一系列衍生物的合成。研究了这些化合物的β-肾上腺素受体阻断特性，当在麻醉的猫体内进行测试时，许多化合物显示出令人惊讶的效力和β1-心脏选择性。讨论了这一系列化合物显示的结构活性关系，并与已知的β-肾上腺素能阻断剂有关。
• .beta.-Adrenergic blocking agents. 23. 1-(Substituted-amido)phenoxy-3-[[(substituted-amido)alkyl]amino]propan-2-ols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00357a008

  日期：1983.3

  The synthesis of a series of 1-phenoxy-3-[(amidoalkyl)amino]propan-2-ols, in which the phenoxy ring is variously substituted with ortho and para amidic moieties, is described. Several of the compounds have beta-blocking potency comparable to that of propranolol and cardioselectivity similar to that of practolol, when given intravenously to anesthetized cats. In contrast to previous findings with cardioselective beta blockers, both ortho and para substitution give variable degrees of cardioselectivity. Potency, however, is favored by ortho substitution.
• FR2233991
  申请人：——

  公开号：——

  公开（公告）日：——
• CH614925
  申请人：——

  公开号：——

  公开（公告）日：——
• 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：——