Phosphonic acid, (((2-((2-((phosphonomethyl)amino)ethyl)amino)ethyl)imino)bis(methylene))bis-, N-(phosphonomethyl) deriv. | 68785-01-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Phosphonic acid, (((2-((2-((phosphonomethyl)amino)ethyl)amino)ethyl)imino)bis(methylene))bis-, N-(phosphonomethyl) deriv.
• 英文别名: [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethylamino]methylphosphonic acid
• CAS: 68785-01-3
• 化学式: C₈H₂₅N₃O₁₂P₄
• 分子量: 479.19
• InChiKey: YUTLCNZPZMMYMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.9
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  249
• 氢给体数：
  9
• 氢受体数：
  15

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。
• US8765977B2
  申请人：——

  公开号：US8765977B2

  公开（公告）日：2014-07-01