6-amino-6-hydroxymethylperhydro-1,4-diazepine | 1173766-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: 6-amino-6-hydroxymethylperhydro-1,4-diazepine
• 英文别名: (6-Amino-1,4-diazepan-6-yl)methanol
• CAS: 1173766-91-0
• 化学式: C₆H₁₅N₃O
• mdl: MFCD19215670
• 分子量: 145.205
• InChiKey: GAFRLDMGGCYWBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.3
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  溴乙酸叔丁酯 、 6-amino-6-hydroxymethylperhydro-1,4-diazepine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以53%的产率得到1,4-bis(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonylmethyl)]amino-6-hydroxymethylperhydro-1,4-diazepine
  参考文献：
  名称：

  Fast and easy access to efficient bifunctional chelators for MRI applications

  摘要：

  Novel bifunctional agents based on the AAZTA (6-amino-6-methylperhydro-1,4-diazepinetetraacetic acid) structure with hydroxyl, carboxyl and chloro functional groups were prepared. The Gd-III complexes show optimal magnetic properties making them very good candidates for conjugation to biomolecules for molecular imaging applications. An example of conjugation to a bile acid derivative is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.024
• 作为产物：
  描述：

  (1,4-dibenzyl-6-nitro-1,4-diazepan-6-yl)methanol 在 甲酸 、 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以97.6%的产率得到6-amino-6-hydroxymethylperhydro-1,4-diazepine
  参考文献：
  名称：

  Fast and easy access to efficient bifunctional chelators for MRI applications

  摘要：

  Novel bifunctional agents based on the AAZTA (6-amino-6-methylperhydro-1,4-diazepinetetraacetic acid) structure with hydroxyl, carboxyl and chloro functional groups were prepared. The Gd-III complexes show optimal magnetic properties making them very good candidates for conjugation to biomolecules for molecular imaging applications. An example of conjugation to a bile acid derivative is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.024

文献信息

• BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING
  申请人：JOHANNES GUTENBERG-UNIVERSITÄT MAINZ

  公开号：US20160136309A1

  公开（公告）日：2016-05-19

  A compound fur radio metal complexation includes a chelator and one or more biological targeting vectors TV conjugated to said chelator, wherein the chelator has structure (A) or (B)or (C). based on 1,4-diazepine with groups R 1 , R 2 , R 3 , R 4 , X 1 , X 2 , X 3 . The compound is particularly suited for complexation of radio-isotopic metals, such as 66 Ga(III), 67 Ga(III) and 68 Ga(III).
• Fast and easy access to efficient bifunctional chelators for MRI applications
  作者：Giuseppe Gugliotta、Mauro Botta、Giovanni Battista Giovenzana、Lorenzo Tei

  DOI：10.1016/j.bmcl.2009.05.024

  日期：2009.7

  Novel bifunctional agents based on the AAZTA (6-amino-6-methylperhydro-1,4-diazepinetetraacetic acid) structure with hydroxyl, carboxyl and chloro functional groups were prepared. The Gd-III complexes show optimal magnetic properties making them very good candidates for conjugation to biomolecules for molecular imaging applications. An example of conjugation to a bile acid derivative is also reported. (C) 2009 Elsevier Ltd. All rights reserved.