[[1-(2-ethyl-6-methoxy-2-methyl-4H-1,3-benzodioxin-8-yl)-2-hydroxyethyl]-[2-[[1-(2-ethyl-6-methoxy-2-methyl-4H-1,3-benzodioxin-8-yl)-2-hydroxyethyl]-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: [[1-(2-ethyl-6-methoxy-2-methyl-4H-1,3-benzodioxin-8-yl)-2-hydroxyethyl]-[2-[[1-(2-ethyl-6-methoxy-2-methyl-4H-1,3-benzodioxin-8-yl)-2-hydroxyethyl]-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
• 化学式: C₃₂H₅₀N₂O₁₄P₂
• 分子量: 748.7
• InChiKey: PKHWXMSDVBQIFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  50
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  217
• 氢给体数：
  6
• 氢受体数：
  16

文献信息

• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS AND IMAGING METHOD
  申请人：Grimmond Brian James

  公开号：US20110243858A1

  公开（公告）日：2011-10-06

  A method of diagnostic imaging is disclosed comprising administering a medical formulation to a subject, the formulation comprising a contrast enhancement agent having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions; and one or more pharmaceutically acceptable carriers and excipients. The subject is subjected to a diagnostic imaging technique such as magnetic resonance imaging. The technique may be used in a variety of diagnostic imaging regimes, such as imaging of circulatory systems, genitourinary systems, hepatobiliary systems, central nervous systems, tumors, and abscesses among others.

  揭示了一种诊断成像方法，包括向受试者注射医用配方，该配方包括具有结构I和其盐的对比增强剂，其中R1在每次出现时独立地是羟基、C1-C3羟基烷基或C1-C3烷基，b为0-4；R2-R7在每次出现时独立地是氢、C1-C3羟基烷基或C1-C3烷基，但至少其中之一是羟基或C1-C3羟基烷基；Q是一个或多个电荷平衡的对离子；以及一个或多个药用载体和赋形剂。受试者接受诊断成像技术，如磁共振成像。该技术可用于各种诊断成像方案，如循环系统、泌尿系统、肝胆系统、中枢神经系统、肿瘤和脓肿等的成像。
• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS
  申请人：Grimmond Brian James

  公开号：US20110245512A1

  公开（公告）日：2011-10-06

  In one aspect, the present invention provides a contrast enhancement agent comprising an iron chelate having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions. Also provided are a metal chelating ligand having structure IX and medical formulations comprising the contrast enhancement agent I.
• US8722020B2
  申请人：——

  公开号：US8722020B2

  公开（公告）日：2014-05-13
• US8765977B2
  申请人：——

  公开号：US8765977B2

  公开（公告）日：2014-07-01