(3β,5β)-3-amino-12-oxocholan-24-oic acid methyl ester | 721945-11-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3β,5β)-3-amino-12-oxocholan-24-oic acid methyl ester
• 英文别名: (3beta,5beta)-3-Amino-12-oxocholan-24-oic acid methyl ester；methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-amino-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• CAS: 721945-11-5
• 化学式: C₂₅H₄₁NO₃
• 分子量: 403.605
• InChiKey: CFYQWONALRTRRL-XHPWGDQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3β,5β)-3-amino-12-oxocholan-24-oic acid methyl ester 、 N,N-bis[2-[bis[2-(1,1-dimethylethoxy)-2-oxoethyl]amino]ethyl]-L-glutamic acid 1-(1,1-dimethylethyl) ester 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 67.5h， 生成 [3β(S),5β]-3-[[4-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-carboxy-1-oxobutyl]amino]-12-oxocholan-24-oic acid
  参考文献：
  名称：

  Blood pool agents for nuclear magnetic resonance diagnostics

  摘要：

  公开号：

  EP1935435B1
• 作为产物：
  描述：

  methyl 3β-azido-12α-hydroxy-5β-cholan-24-oate 在 5%-palladium/activated carbon Jones reagent 、 氢气 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 20.0 ℃ 、4.0 MPa 条件下， 反应 36.5h， 生成 (3β,5β)-3-amino-12-oxocholan-24-oic acid methyl ester
  参考文献：
  名称：

  Blood pool agents for nuclear magnetic resonance diagnostics

  摘要：

  公开号：

  EP1935435B1

文献信息

• Gastrin releasing peptide compounds
  申请人：——

  公开号：US20040136906A1

  公开（公告）日：2004-07-15

  New and improved compounds for use in radiodiagnostic imaging or radiotherapy having the formula M-N—O—P-G, wherein M is the metal chelator (in the form complexed with a metal radionuclide or not), N—O—P is the linker, and G is the GRP receptor targeting peptide. Methods for imaging a patient and/or providing radiotherapy to a patient using the compounds of the invention are also provided. A method for preparing a diagnostic imaging agent from the compound is further provided. A method for preparing a radiotherapeutic agent is further provided.

  新的和改进的化合物，可用于放射性诊断成像或放射治疗，具有公式M-N—O—P-G，其中M是金属螯合剂（以与金属放射性核素或未结合的形式），N—O—P是连接物，G是GRP受体靶向肽。本发明还提供了利用这些化合物对患者进行成像和/或放射治疗的方法。还提供了从该化合物制备诊断成像试剂的方法。还提供了制备放射治疗试剂的方法。
• Linkers for radiopharmaceutical compounds
  申请人：De Haën Christoph

  公开号：US20060241018A1

  公开（公告）日：2006-10-26

  A new and improved method for extending the half life of pharmaceutical compounds for use in diagnostic imaging or therapy uses a novel linker to attach a diagnostic or therapeutic moiety to a targeting peptide or another diagnostic or therapeutic moiety. The resulting compound may have the general formula M-N-O-P-Q, wherein M is the diagnostic or therapeutic moiety, N-O-P is the linker of the present invention, and Q is the targeting peptide. In another embodiment the compounds may have the formula M-N-O-P-M, wherein M is independently a diagnostic or therapeutic moiety and N-O-P is the linker of the invention. Methods for imaging or treating a patient using the compounds of the invention are also provided. Methods and kits for preparing a diagnostic imaging agent from the compound are further provided. Methods for radiotherapy of a patient using the compounds are further provided, as are methods for preparing a radiotherapeutic agent from the compounds.

  一种新的、改进的方法，用于延长药物化合物的半衰期，用于诊断成像或治疗，使用一种新型连接剂将诊断或治疗基团连接到靶向肽或另一个诊断或治疗基团上。得到的化合物可能具有一般公式M-N-O-P-Q，其中M是诊断或治疗基团，N-O-P是本发明中的连接剂，而Q是靶向肽。在另一种实施方案中，化合物可能具有公式M-N-O-P-M，其中M是独立的诊断或治疗基团，N-O-P是该发明中的连接剂。还提供了使用该发明中化合物进行成像或治疗患者的方法。还提供了制备诊断成像剂的方法和试剂盒。还提供了使用该化合物进行放射治疗的方法，以及制备放射治疗剂的方法。
• Gastrin Releasing Peptide Compounds
  申请人：Cappelletti Enrico

  公开号：US20070231257A1

  公开（公告）日：2007-10-04

  New and improved compounds for use in radiodiagnostic imaging or radiotherapy having the formula M-N—O—P-G, wherein M is the metal chelator (in the form complexed with a metal radionuclide or not), N—O—P is the linker, and G is the GRP receptor targeting peptide. Methods for imaging a patient and/or providing radiotherapy to a patient using the compounds of the invention are also provided. A method for preparing a diagnostic imaging agent from the compound is further provided. A method for preparing a radiotherapeutic agent is further provided.

  新的并且改良的化合物，用于放射性诊断成像或放射治疗，其化学式为M-N-O-P-G，其中M为金属螯合剂（以金属放射性核素形式复合或未复合），N-O-P为连接剂，G为GRP受体靶向肽。本发明还提供了使用该化合物对患者进行成像和/或放射治疗的方法。此外，还提供了一种从该化合物制备诊断成像试剂的方法。还提供了一种制备放射性治疗试剂的方法。
• GASTRIN RELEASING PEPTIDE COMPOUNDS
  申请人：Cappelletti Enrico

  公开号：US20110052491A1

  公开（公告）日：2011-03-03

  New and improved compounds for use in diagnostic imaging or therapy having the formula M—N—O—P—G, wherein M is an optical label or a metal chelator (in the form complexed with a metal radionuclide or not), N—O—P is the linker, and G is the GRP receptor targeting peptide. Methods for imaging a patient and/or providing radiotherapy or phototherapy to a patient using the compounds of the invention are also provided. Methods and kits for preparing a diagnostic imaging agent from the compound is further provided. Methods and kits for preparing a radiotherapeutic agent are further provided.

  本发明涉及用于诊断成像或治疗的新型化合物，其化学式为M—N—O—P—G，其中M是光学标记或金属螯合剂（以与金属放射性核素形成络合物或非络合形式存在），N—O—P是连接剂，G是GRP受体靶向肽。本发明还提供了使用该化合物进行患者成像和/或提供放射治疗或光疗的方法。本发明还提供了制备诊断成像剂的方法和试剂盒。本发明还提供了制备放射治疗剂的方法和试剂盒。
• Linkers For Radiopharmaceutical Compounds
  申请人：De Haen Christoph

  公开号：US20110280802A1

  公开（公告）日：2011-11-17

  A new and improved method for extending the half life of pharmaceutical compounds for use in diagnostic imaging or therapy uses a novel linker to attach a diagnostic or therapeutic moiety to a targeting peptide or another diagnostic or therapeutic moiety. The resulting compound may have the general formula M-N—O—P-Q, wherein M is the diagnostic or therapeutic moiety, N—O—P is the linker of the present invention, and Q is the targeting peptide. In another embodiment the compounds may have the formula M-N—O—P-M, wherein M is independently a diagnostic or therapeutic moiety and N—O—P is the linker of the invention. Methods for imaging or treating a patient using the compounds of the invention are also provided. Methods and kits for preparing a diagnostic imaging agent from the compound are further provided. Methods for radiotherapy of a patient using the compounds are further provided, as are methods for preparing a radiotherapeutic agent from the compounds.

  一种改进的新方法，用于延长药物化合物的半衰期，以用于诊断成像或治疗，使用新型连接剂将诊断或治疗基团连接到靶向肽或另一个诊断或治疗基团上。所得化合物可能具有一般公式M-N-O-P-Q，其中M为诊断或治疗基团，N-O-P为本发明的连接剂，Q为靶向肽。在另一实施例中，化合物可能具有公式M-N-O-P-M，其中M独立地为诊断或治疗基团，N-O-P为本发明的连接剂。还提供了使用本发明化合物进行成像或治疗患者的方法。还提供了制备诊断成像剂的方法和工具包。还提供了使用化合物进行放射治疗的方法，以及制备放射治疗剂的方法。