tert-butyl {4-[2-(bis-tert-butyoxycarbonylmethylamino)-3-(4-succinylamidophenyl)propyl]-7-tert-butyoxycarbonylmethyl-[1,4,7]triazacyclononan-1-yl}acetate | 1161415-25-3

• 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: tert-butyl {4-[2-(bis-tert-butyoxycarbonylmethylamino)-3-(4-succinylamidophenyl)propyl]-7-tert-butyoxycarbonylmethyl-[1,4,7]triazacyclononan-1-yl}acetate
• 英文别名: succinyl-C-NETA；4-[4-[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]propyl]anilino]-4-oxobutanoic acid
• CAS: 1161415-25-3
• 化学式: C₄₃H₇₁N₅O₁₁
• 分子量: 834.064
• InChiKey: HSGDBZHZZVFAAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  59
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  185
• 氢给体数：
  2
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  tert-butyl {4-[2-(bis-tert-butyoxycarbonylmethylamino)-3-(4-succinylamidophenyl)propyl]-7-tert-butyoxycarbonylmethyl-[1,4,7]triazacyclononan-1-yl}acetate 、 DUPA-EAOA-Phe-Phe-EDA-NH2 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 生成 DUPA-C-NETA
  参考文献：
  名称：

  양전자 방출 단층 촬영용 화합물

  摘要：

  本发明涉及利用正电子发射断层扫描诊断和/或监测病原性疾病的化合物、组合物和方法。此外，所述的是B是维生素受体结合配体（例如聚谷酸）、PSMA结合配体或PSMA抑制剂中选择的靶向剂的基团；L是包含天冬氨酸、赖氨酸或精氨酸的2价连接基；P是造影剂或放射治疗剂，例如放射性核素或含有放射性核素的基团，或者是可与放射性核素，例如金属螯合基结合的化合物的基团的化学式B-L-P的共轭物。

  公开号：

  KR20160079887A
• 作为产物：
  描述：

  丁二酸酐 、 Tert-butyl 2-[4-[3-(4-aminophenyl)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate 以 乙腈 为溶剂， 反应 3.0h， 以82%的产率得到tert-butyl {4-[2-(bis-tert-butyoxycarbonylmethylamino)-3-(4-succinylamidophenyl)propyl]-7-tert-butyoxycarbonylmethyl-[1,4,7]triazacyclononan-1-yl}acetate
  参考文献：
  名称：

  Improved ¹⁸F Labeling of Peptides with a Fluoride-Aluminum-Chelate Complex

  摘要：

  We reported previously the feasibility to radiolabel peptides with fluorine-18 (F-18) using a rapid one-pot method that first mixes F-18(-) with Al3+ and then binds the ((AlF)-F-18)(24) complex to a NOTA ligand on the peptide. In this report, we examined several new NOTA ligands and determined how temperature, reaction time, and reagent concentration affected the radiolabeling yield. Four structural variations of the NOTA ligand had isolated radiolabeling yields ranging from 5.8% to 87% under similar reaction conditions. All of the (AlF)-F-18 NOTA complexes were stable in vitro in human serum, and those that were tested in vivo also were stable. The radiolabeling reactions were performed at 100 C, and the peptides could be labeled in as little as 5 mm. The IMP467 peptide could be labeled up to 115 GBq/mu mol (3100 Ci/mmol), with a total reaction and purification time of 30 min without chromatographic purification.

  DOI：

  10.1021/bc100137x

文献信息

• Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules
  申请人：McBride William J.

  公开号：US20090155166A1

  公开（公告）日：2009-06-18

  The present application discloses compositions and methods of synthesis and use of F-18 labeled molecules of use, for example, in PET imaging techniques. The labeled molecules may be peptides or proteins, although other types of molecules may be labeled by the described methods. Preferably, the F-18 may be conjugated to a targeting molecule by formation of a metal complex and binding of the F-18-metal complex to a chelating moiety. Alternatively, the metal may first be conjugated to the chelating group and subsequently the F-18 bound to the metal. In other embodiments, the F-18 labeled moiety may comprise a targetable construct used in combination with a bispecific or multi specific antibody to target F-18 to a disease-associated antigen, such as a tumor-associated antigen. The F-18 labeled targetable construct peptides are stable in serum at 37° C. for a sufficient time to perform PET imaging analysis.
• US7993626B2
  申请人：——

  公开号：US7993626B2

  公开（公告）日：2011-08-09
• US8153100B2
  申请人：——

  公开号：US8153100B2

  公开（公告）日：2012-04-10