(2S)-2-[[6-[acetyl-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl]amino]-2-nitropyridine-3-carbonyl]amino]pentanedioic acid

• 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: (2S)-2-[[6-[acetyl-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl]amino]-2-nitropyridine-3-carbonyl]amino]pentanedioic acid
• 化学式: C20H19N9O9
• 分子量: 529.4
• InChiKey: FFUABIUXZZCLLI-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  276
• 氢给体数：
  5
• 氢受体数：
  12

文献信息

• [EN] 18F-LABELLED FOLATE/ANTIFOLATE ANALOGUES<br/>[FR] ANALOGUES DE FOLATES/ANTIFOLATES MARQUÉS AU 18F
  申请人：MERCK & CIE

  公开号：WO2013167653A1

  公开（公告）日：2013-11-14

  The present invention is directed towards new 18 F- folate/antifolate analogue radiopharmaceuticals, wherein the phenyl group within folate structures has been replaced by an 18F- heterocycle, their precursors, a method of their preparation, as well as their use in diagnosis of a cell or population of cells expressing a folate-receptor and monitoring of cancer and inflammatory and autoimmune diseases and therapy thereof.

  本发明涉及新的18F-叶酸/抗叶酸类似物放射性药物，其中叶酸结构中的苯基已被18F-杂环取代，其前体物，其制备方法，以及它们在诊断表达叶酸受体的细胞或细胞群以及癌症和炎症性和自身免疫疾病的监测和治疗中的应用。
• 18F-LABELLED FOLATE/ANTIFOLATE ANALOGUES
  申请人：MERCK & CIE

  公开号：US20150125390A1

  公开（公告）日：2015-05-07

  The present invention is directed towards new 18 F-folate/antifolate analogue radiopharmaceuticals, wherein the phenyl group within folate structures has been replaced by an 18 F-heterocycle, their precursors, a method of their preparation, as well as their use in diagnosis of a cell or population of cells expressing a folate-receptor and monitoring of cancer and inflammatory and autoimmune diseases and therapy thereof.

  本发明涉及新的18F-叶酸类/抗叶酸类模拟放射性药物，其中叶酸结构中的苯基已被18F-杂环取代，其前体，其制备方法，以及它们在诊断表达叶酸受体的细胞或细胞群以及癌症和炎症性和自身免疫疾病的监测和治疗中的应用。
• 18F-labelled folate/antifolate analogues
  申请人：MERCK & CIE

  公开号：US10357576B2

  公开（公告）日：2019-07-23

  The present invention is directed towards new 18F-folate/antifolate analog radiopharmaceuticals, wherein the phenyl group within folate structures has been replaced by an 18F-heterocycle, their precursors, a method of their preparation, as well as their use in diagnosis of a cell or population of cells expressing a folate-receptor and monitoring of cancer and inflammatory and autoimmune diseases and therapy thereof.

  本发明涉及新型 18F 叶酸/抗叶酸类似放射性药物（其中叶酸结构中的苯基已被 18F 异环取代）、其前体、制备方法，以及它们在诊断表达叶酸受体的细胞或细胞群、监测癌症、炎症和自身免疫性疾病及其治疗中的用途。