[4(5)S]-2-amino-4(5)-(N,N-dimethyl-2-aminoethyl)imidazoline | 1132107-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: [4(5)S]-2-amino-4(5)-(N,N-dimethyl-2-aminoethyl)imidazoline
• 英文别名: (4S)-4-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-imidazol-2-amine
• CAS: 1132107-99-3
• 化学式: C₇H₁₆N₄
• 分子量: 156.231
• InChiKey: UTXVOWFTNVQRHS-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [4(5)S]-2-amino-4(5)-(N,N-dimethyl-2-aminoethyl)imidazoline 在 氢溴酸 、 溶剂黄146 作用下， 以169 mg的产率得到[4(5)S]-2-amino-4(5)-(N,N-dimethyl-2-aminoethyl)imidazoline dihydrobromide
  参考文献：
  名称：

  New analogues of agmatine with higher affinity to imidazoline receptors

  摘要：

  Compilation of agmatine structure and imidazoline ring leads to a new family of imidazoline/alpha(2)-adrenoceptor ligands, 4(5)-(2-aminoethyl) imidazoline derivatives. Constraining of the guanidine moiety into heterocyclic ring improved the affinities of the resultant fusion compounds in comparison to agmatine itself. In this work, the synthetic approach and results for I-1, I-2, and alpha 2-adrenoceptors affinities are reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.055
• 作为产物：
  描述：

  溴化氰 、 (S)-N⁴,N⁴-dimethylbutane-1,2,4-triamine tris(hydrochloric acid) salt 以 二氯甲烷 为溶剂， 生成 [4(5)S]-2-amino-4(5)-(N,N-dimethyl-2-aminoethyl)imidazoline
  参考文献：
  名称：

  New analogues of agmatine with higher affinity to imidazoline receptors

  摘要：

  Compilation of agmatine structure and imidazoline ring leads to a new family of imidazoline/alpha(2)-adrenoceptor ligands, 4(5)-(2-aminoethyl) imidazoline derivatives. Constraining of the guanidine moiety into heterocyclic ring improved the affinities of the resultant fusion compounds in comparison to agmatine itself. In this work, the synthetic approach and results for I-1, I-2, and alpha 2-adrenoceptors affinities are reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.055

文献信息

• New analogues of agmatine with higher affinity to imidazoline receptors
  作者：Adam P. Treder、Ryszard Andruszkiewicz、Włodzimierz Zgoda、Celeste Ford、Alan L. Hudson

  DOI：10.1016/j.bmcl.2008.11.055

  日期：2009.2

  Compilation of agmatine structure and imidazoline ring leads to a new family of imidazoline/alpha(2)-adrenoceptor ligands, 4(5)-(2-aminoethyl) imidazoline derivatives. Constraining of the guanidine moiety into heterocyclic ring improved the affinities of the resultant fusion compounds in comparison to agmatine itself. In this work, the synthetic approach and results for I-1, I-2, and alpha 2-adrenoceptors affinities are reported. (C) 2008 Elsevier Ltd. All rights reserved.