5-A-RU-PABC-Val-Cit-Fmoc

For research use only. Not for therapeutic Use.

  • CAT Number: I045765
  • CAS Number: 2677841-58-4
  • Molecular Formula: C43H53N9O13
  • Molecular Weight: 903.93
  • Purity: ≥95%
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5-A-RU-PABC-Val-Cit-Fmoc(Cat No.:I045765)is a multifunctional synthetic intermediate designed for advanced biomedical and chemical research. It combines 5-amino-6-D-ribitylaminouracil (5-A-RU), a metabolic precursor in riboflavin biosynthesis, with a para-aminobenzyl carbamate (PABC) self-immolative linker and a Val-Cit dipeptide unit, commonly used in antibody–drug conjugates for tumor-selective release. The Fmoc protecting group enables controlled solid-phase peptide synthesis applications. This construct is valuable for exploring targeted drug delivery, immunometabolism, and synthetic chemistry, providing a versatile building block for novel therapeutics, prodrug systems, and precision molecular design in cancer and immunological research.


CAS Number 2677841-58-4
Synonyms

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Molecular Formula C43H53N9O13
Purity ≥95%
IUPAC Name 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]carbamoyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI InChI=1S/C43H53N9O13/c1-22(2)33(49-42(62)65-21-29-27-10-5-3-8-25(27)26-9-4-6-11-28(26)29)38(58)48-30(12-7-17-45-40(44)60)37(57)47-24-15-13-23(14-16-24)20-64-43(63)50-34-36(51-41(61)52-39(34)59)46-18-31(54)35(56)32(55)19-53/h3-6,8-11,13-16,22,29-33,35,53-56H,7,12,17-21H2,1-2H3,(H,47,57)(H,48,58)(H,49,62)(H,50,63)(H3,44,45,60)(H3,46,51,52,59,61)/t30-,31-,32+,33-,35-/m0/s1
InChIKey HGSKBBAITCBDNC-FAEFUHMUSA-N
SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)NC2=C(NC(=O)NC2=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
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