N-[4-[[[[[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]acetyl]amino]benzoyl]-L-glutaminyl-L-tryptophyl-L-alanyl-L-valyl-glycyl-L-histidyl-L-leucyl-L-methioninamide | 721937-56-0

• 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: N-[4-[[[[[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]acetyl]amino]benzoyl]-L-glutaminyl-L-tryptophyl-L-alanyl-L-valyl-glycyl-L-histidyl-L-leucyl-L-methioninamide
• 英文别名: 2-[4-[2-[[2-[4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 721937-56-0
• 化学式: C₆₈H₉₉N₁₉O₁₈S
• 分子量: 1502.72
• InChiKey: IKMAHCPVCXJPFU-PHDXWTAFSA-N

物化性质

• 沸点：
  1856.4±65.0 °C(Predicted)
• 密度：
  1.330±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  106
• 可旋转键数：
  41
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  572
• 氢给体数：
  17
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  lutetium(III) chloride 、 N-[4-[[[[[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]acetyl]amino]benzoyl]-L-glutaminyl-L-tryptophyl-L-alanyl-L-valyl-glycyl-L-histidyl-L-leucyl-L-methioninamide 以 further solvent(s) 为溶剂， 生成 (177)Lu-(DO3A-CH2CO-G-[4-aminobenzoyl]-QWAVGHLM-NH2)
  参考文献：
  名称：

  Isolation of a ¹⁷⁷Hf Complex Formed by β-Decay of a ¹⁷⁷Lu-Labeled Radiotherapeutic Compound and NMR Structural Elucidation of the Ligand and its Lu and Hf Complexes

  摘要：

  Lu-177-AMBA (AMBA = DO3A-CH2CO-G-[4-aminobenzoyl]-QWAVGHLM-NH2) is being developed for the radio-therapeutic treatment of tumors that express the gastrin-releasing peptide receptor (GRP-R). In this study we investigated the fate of the (177)hafnium (Hf-177) that forms upon the decay of Lu-177 while the latter is complexed with AMBA. When decayed solutions of Lu-177-AMBA were analyzed, it was found that Hf-177 is retained in the DO3A monoamide chelator, forming a pair of interconverting isomers. We report the synthesis and full characterization of Lu-nat-AMBA and the studies performed to demonstrate its correspondence to radioactive Lu-177-AMBA. We also report the synthesis and characterization of Hf-AMBA and, by NMR studies, show structural analogies between Hf-AMBA, its parent compound Lu-AMBA, and the unmetallated AMBA ligand. In the NMR spectra of both the metallated and unmetallated AMBA ligand, a stacking interaction between the amino benzoyl residue in the linker and a tryptophan in the truncated bombesin [BBN(7-14)-NH2] peptide targeting group was found.

  DOI：

  10.1021/ic802328a

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。
• 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。
• Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy
  申请人：Ramalingam Kondareddiar

  公开号：US20100069628A1

  公开（公告）日：2010-03-18

  Compounds of the formula: Wherein R is selected from the group consisting of H, NH2, and NHBoc; and R′ is selected from the group consisting of H, CH 2 Ph and tBu, optionally de-protected. Such compounds may be conjugated with a suitable molecule able to interact with physiological systems; and their chelates with bi-trivalent ions of the metal elements having atomic number ranging between 20 and 31, 39, 42, 43, 44, 49, and between 57 and 83, and radioisotopes chosen among 203 Pb, 67 Ga, 68 Ga, 72 As, 113 In, 90 Y, 97 Ru, 62 Cu, 64 Cu, 52 Fe, 52m Mn, 140 La, 175 Yb, 153 Sm, 166 Ho, 149 Pm, 177 Lu, 142 Pr, 159 Gd, 212 Bi, 47 Sc, 149 Pm, 67 Cu, 111 Ag, 199 Au, 161 Tb, 51 Cr, 167 Tm, 141 Ce, 168 Yb, 88 Y, 165 Dy, 166 Dy, 97 Ru, 103 Ru, 186 Re, 188 Re, 99m Tc, 211 Bi, 212 Bi, 213 Bi, 214 Bi, 105 Rh, 109 Pd, 117m Sn, 177 Sn and 199 Au, as well as the salts thereof with physiologically compatible bases or acids.

  该化合物的分子式为：其中R选择自H、NH2和NHBoc组成的群体；而R'选择自H、CH2Ph和tBu组成的群体，可以选择去保护。这些化合物可以与能够与生理系统相互作用的合适分子结合；并且它们的螯合物可以与具有原子序数在20到31、39、42、43、44、49之间以及57到83之间的金属元素的双价离子以及选择自203Pb、67Ga、68Ga、72As、113In、90Y、97Ru、62Cu、64Cu、52Fe、52mMn、140La、175Yb、153Sm、166Ho、149Pm、177Lu、142Pr、159Gd、212Bi、47Sc、149Pm、67Cu、111Ag、199Au、161Tb、51Cr、167Tm、141Ce、168Yb、88Y、165Dy、166Dy、97Ru、103Ru、186Re、188Re、99mTc、211Bi、212Bi、213Bi、214Bi、105Rh、109Pd、117mSn、177Sn和199Au的放射性同位素形成配合物，以及它们与生理相容的酸或碱盐。
• 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。
• Labeled gastrin releasing peptides (GRP)
  申请人：Bracco Imaging S.p.A

  公开号：EP2281580A2

  公开（公告）日：2011-02-09

  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 is further provided.

  用于诊断成像或治疗的新型改良化合物，其分子式为 M-N-O-P-G，其中 M 为光学标记或金属螯合剂（与金属放射性核素络合与否），N-O-P 为连接体，G 为 GRP 受体靶向肽。还提供了使用本发明化合物为患者成像和/或为患者提供放疗或光疗的方法。还提供了用本发明化合物制备诊断成像剂的方法和试剂盒。还提供了制备放射治疗剂的方法和试剂盒。