2-Amino-2-carbamimidoylhexanoic 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: 2-Amino-2-carbamimidoylhexanoic acid
• 英文别名: 2-amino-2-carbamimidoylhexanoic acid
• 化学式: C₇H₁₅N₃O₂
• 分子量: 173.21
• InChiKey: DKSWHDFBMJQEDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS WITH IMPROVED TISSUE SPECIFICITY
  申请人：Ruprecht-Karls-Universität Heidelberg

  公开号：EP3923998A1

  公开（公告）日：2021-12-22
• [EN] PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS WITH IMPROVED TISSUE SPECIFICITY<br/>[FR] LIGANDS D'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROSTATE (PSMA) PRÉSENTANT UNE SPÉCIFICITÉ TISSULAIRE AMÉLIORÉE
  申请人：RUPRECHT-KARLS-UNIVERSITÄT HEIDELBERG

  公开号：WO2020165420A1

  公开（公告）日：2020-08-20

  The present invention relates to a compound of formula (1), and to a complex comprising said compound and a radionuclide, and to the respective pharmaceutical composition, the compound having the following structure or a pharmaceutically acceptable salt or solvate thereof, wherein R1 is H or -CH3, preferably H, wherein R2, R3 and R4 are independently of each other, selected from the group consisting of -CO2H, -SO2H, -SO3H, -OSO3H, -PO2H, -PO3H and -OPO3H2, Q1 is selected from the group consisting of alkylaryl, arylalkyl, aryl, alkylheteroaryl, heteroarylalkyl and heteroaryl, Q2 is selected from the group consisting of aryl, alkylaryl, arylalkyl, cycloalkyl, heterocycloalkyl, heteroaryl, heteroarylalkyl and alkylheteroaryl, A is a chelator residue derived from a chelator selected from the group consisting of 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid ( = DOTA), N,N''-bis[2-hydroxy-5-(carboxyethyl)benzyl]ethylenediamine-N,N"-diacetic acid, 1,4,7-triazacyclononane-1,4,7-triacetic acid (= NOTA), 2-(4,7 -bis(carboxymethyl)-1,4,7-triazonan-1-yl)pentanedioic acid, (NODAGA), 2-(4,7, 10-tris(carboxymethyl)- 1,4, 7,10-tetraazacyclododecan-1 -yl)pentanedioic acid (DOTAGA), 1,4,7-riazacyclononane phosphinic acid (TRAP), 1,4,7-triazacyclononane phosphinic acid (TRAP), 1,4,7 -triazacyclononane- 1 -[methyl(2 -carboxyethyl)pho sphinic acid] -4,7- bis [methyl(2-hydroxymethyl)pho sphinic acid] (NOPO), 3,6,9, 15 -tetraazabicyclo [9.3.1. jpentadeca-1(15),11,13-triene-3,6,9-triacetic acid (=PCTA), N'-5-[Acetyl(hydroxy)amino]pentyl}-N-[5-(4-[(5-arninopentyl)(hydroxy)amino]-4-oxobutanoyl } amino)pentyl]-N-hydroxy succinamide (DFO), Diethylenetriaminepentaacetic acid (DTPA), Trans-cyclohexyl-diethylenetriaminepentaacetic acid (CHX-DTPA), 1-oxa-4,7,10-triazacyclododecane-4,7, 10-triacetic acid (oxo-Do3A) p-isothiocyanatobenzyl-DTPA (SCN-Bz-DTPA), 1-(p-isothiocyanatobenzyl)-3-methyl-DTPA (1 B3M), 2-(p- isothiocyanatobenzyl)-4-methyl-DTPA (1 M3B) and 1 -(2)-methyl-4-isocyanatobenzyl-DTPA (MX-DTPA), X1, X2, Y1, Y2, Z1 and Z2, are independently of each other, charged amino acids, q is an integer of from 0 - 3, n, m and p, are independently of each other an integer of from 0 to 9, n1, n2, m1, m2, p1, p2, are independently of each other, an integer of from 0 to 3, and wherein n1 + n2 > 0, m1 + m2 > 0 and p1 + p2 > 0, and wherein n + m + p >0. Further, the present invention relates to the compound, the complex, and the pharmaceutical composition for use in treating, ameliorating or preventing PSMA-expressing cancers, in particular prostate cancer, and/or metastases thereof.