10-[(3-methoxyphenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid | 590361-57-2

• 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: 10-[(3-methoxyphenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
• 英文别名: MBzDO3A；2-[4,7-Bis(carboxymethyl)-10-[(3-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 590361-57-2
• 化学式: C₂₂H₃₄N₄O₇
• 分子量: 466.535
• InChiKey: XMMCPMYPMFYKAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  695.1±55.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -6.4
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  氯化镱(III) 、 10-[(3-methoxyphenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid 以 水 为溶剂， 生成 [Yb(10-[(3-methoxyphenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetate)]
  参考文献：
  名称：

  Terreno, Enzo; Botta, Mauro; Fedeli, Franco, Inorganic Chemistry, 2003, vol. 42, # 16, p. 4891 - 4897

  摘要：

  DOI：

文献信息

• ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX
  申请人：BRACCO IMAGING S.p.A.

  公开号：EP1434768B1

  公开（公告）日：2009-08-12
• Enhanced substrate imaging by reversible binding to a paramagnetic complex
  申请人：——

  公开号：US20040258618A1

  公开（公告）日：2004-12-23

  The invention relates to a method for the Magnetic Resonance Imaging and Magnetic Resonance Spectroscopy Imaging of a substrate molecule different from water wherein the NMR signal is enhanced by a reversible binding of the substrate molecule to a paramagnetic chelate complex, as well as to the use of a paramagnetic chelate complex in said method and the pharmaceutical composition for use therein.
• HYPERPOLARIZED 89-YTTRIUM AND METHODS RELATING THERETO
  申请人：Kovacs Zoltan

  公开号：US20100092396A1

  公开（公告）日：2010-04-15

  The present invention relates to the preparation of hyperpolarized 89 Y. Hyperpolarized 89 Y may be used as nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) agents for sensitive detection and imaging.
• US7608249B2
  申请人：——

  公开号：US7608249B2

  公开（公告）日：2009-10-27
• Terreno, Enzo; Botta, Mauro; Fedeli, Franco, Inorganic Chemistry, 2003, vol. 42, # 16, p. 4891 - 4897
  作者：Terreno, Enzo、Botta, Mauro、Fedeli, Franco、Mondino, Bruna、Milone, Luciano、Aime, Silvio

  DOI：——

  日期：——