1,8-N,N'-bis-(carbo-tert-butoxymethyl)-4-N''-(methyl)-1,4,8,11-tetraazacyclotetradecane | 1331910-24-7

• 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: 1,8-N,N'-bis-(carbo-tert-butoxymethyl)-4-N''-(methyl)-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 1,8-bis-(carbo-tert-butoxymethyl)-4-methyl-1,4,8,11-tetraazacyclotetradecane；1,8-Bis-(carbo-tert-butoxymethyl)-4-methyl-1,4,8,11-tetraazacyclotetradecane；tert-butyl 2-[4-methyl-8-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
• CAS: 1331910-24-7
• 化学式: C₂₃H₄₆N₄O₄
• 分子量: 442.643
• InChiKey: FRODXRQTNCITST-UHFFFAOYSA-N

物化性质

• 沸点：
  513.7±50.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,8-N,N'-bis-(carbo-tert-butoxymethyl)-4-N''-(methyl)-1,4,8,11-tetraazacyclotetradecane 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 26.0h， 生成 64Cu-TE2A-mono-Me chelate
  参考文献：
  名称：

  POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR

  摘要：

  根据本发明，一种新型聚氮大环化合物可选择性地且高收率地合成，用作双功能螯合剂（BFC）。通过这种方法合成的新型聚氮大环化合物与金属螯合，因此可以与生物活性分子如肽结合，并可用于医学疾病的诊断和治疗。

  公开号：

  US20130004423A1
• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 在 聚合甲醛 、 sodium hydroxide 作用下， 以 氯仿 、 水 、 乙腈 为溶剂， 反应 51.0h， 生成 1,8-N,N'-bis-(carbo-tert-butoxymethyl)-4-N''-(methyl)-1,4,8,11-tetraazacyclotetradecane
  参考文献：
  名称：

  Non-Cross-Bridged Tetraazamacrocyclic Chelator for Stable ⁶⁴Cu-Based Radiopharmaceuticals

  摘要：

  N-mono/dimethylated TE2A tetraazamacrocycles (MM-TE2A and DM-TE2A) were synthesized in high yields. Both Cu-MM/DM-TE2A complexes showed increased kinetic stability compared to that of Cu-TE2A, whereas Cu-DM-TE2A showed even higher in vitro stability than that of Cu-ECB-TE2A. MM-TE2A and DM-TE2A were quantitatively radiolabeled with Cu-64 ions and showed rapid clearance from the body to emerge as a potential efficient bifunctional chelator.

  DOI：

  10.1021/ml400142s

文献信息

• Polyazamacrocyclic compound, and a production method and a biomedical use therefor
  申请人：Yoo Jeongsoo

  公开号：US09079867B2

  公开（公告）日：2015-07-14

  According to the present invention, a novel polyazamacrocyclic compound which is used as a bifunctional chelating agent (BFC) can be synthesized selectively and in high yield. The novel polyazamacrocyclic compound synthesized by this method chelates with metals and thus can be conjugated with bioactive molecules such as peptides, and can be used in the diagnosis and treatment of medical conditions.

  根据本发明，可以有选择性地高产地合成一种新型聚氮杂环大环化合物，用作双功能螯合剂（BFC）。该方法合成的新型聚氮杂环大环化合物与金属螯合，因此可以与生物活性分子如肽结合，并可用于医学状况的诊断和治疗。
• US9079867B2
  申请人：——

  公开号：US9079867B2

  公开（公告）日：2015-07-14
• POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR
  申请人：Kyungpook National University Industry- Academic Cooperation Foundation

  公开号：EP2537834B1

  公开（公告）日：2018-09-05
• Non-Cross-Bridged Tetraazamacrocyclic Chelator for Stable ⁶⁴Cu-Based Radiopharmaceuticals
  作者：Ajit V. Dale、Darpan N. Pandya、Jung Young Kim、Hochun Lee、Yeong Su Ha、Nikunj Bhatt、Jonghee Kim、Jeong Ju Seo、Woonghee Lee、Sung Hong Kim、Young-Ran Yoon、Gwang Il An、Jeongsoo Yoo

  DOI：10.1021/ml400142s

  日期：2013.10.10

  N-mono/dimethylated TE2A tetraazamacrocycles (MM-TE2A and DM-TE2A) were synthesized in high yields. Both Cu-MM/DM-TE2A complexes showed increased kinetic stability compared to that of Cu-TE2A, whereas Cu-DM-TE2A showed even higher in vitro stability than that of Cu-ECB-TE2A. MM-TE2A and DM-TE2A were quantitatively radiolabeled with Cu-64 ions and showed rapid clearance from the body to emerge as a potential efficient bifunctional chelator.