Glu-urea-Glu-NHS ester

• CAT Number: I043400
• CAS Number: 1228927-36-3
• Molecular Formula: C27H43N3O11
• Molecular Weight: 585.64
• Purity: ≥95%
• Synonyms: ditert-butyl (2S)-2-[[(2S)-5-(2,5-dioxopyrrolidin-1-yl)oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]pentanedioate
• InChI: InChI=1S/C27H43N3O11/c1-25(2,3)38-20(33)14-10-16(22(35)39-26(4,5)6)28-24(37)29-17(23(36)40-27(7,8)9)11-15-21(34)41-30-18(31)12-13-19(30)32/h16-17H,10-15H2,1-9H3,(H2,28,29,37)/t16-,17-/m0/s1
• InChIKey: RLHXPXLWGMDVAY-IRXDYDNUSA-N
• SMILES: CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C

Glu-urea-Glu-NHS ester (compound 21) is an activated N-hydroxysuccinamide (NHS) ester of Glu-urea-Glu which can be used as a pharmacophore for linking with prostate specific membrane antigen (PSMA) inhibitors[1].

Reference

[1]. Lu G, et al. Synthesis and SAR of ⁹⁹mTc/Re-labeled small molecule prostate specific membrane antigen inhibitors with novel polar chelates. Bioorg Med Chem Lett. 2013 Mar 1;23(5):1557-63.
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