Mal-Val-Ala-PABA-cGAMP

• CAT Number: I042390
• Molecular Formula: C46H56N14O20P2
• Molecular Weight: 1186.97
• Purity: ≥95%
• Synonyms: [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-yl]carbamate
• InChI: InChI=1S/C46H56N14O20P2/c1-21(2)30(54-27(61)7-5-4-6-14-58-28(62)12-13-29(58)63)41(67)52-22(3)40(66)53-24-10-8-23(9-11-24)15-74-46(69)55-37-31-38(49-18-48-37)59(19-50-31)43-33(64)35-25(77-43)16-75-82(72,73)80-36-26(17-76-81(70,71)79-35)78-44(34(36)65)60-20-51-32-39(60)56-45(47)57-42(32)68/h8-13,18-22,25-26,30,33-36,43-44,64-65H,4-7,14-17H2,1-3H3,(H,52,67)(H,53,66)(H,54,61)(H,70,71)(H,72,73)(H3,47,56,57,68)(H,48,49,55,69)/t22-,25+,26+,30-,33+,34+,35+,36+,43+,44+/m0/s1
• InChIKey: LYBBNXLPTBIBMH-XMLVYOPNSA-N
• SMILES: CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)COC(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C5C(O4)COP(=O)(OC6C(COP(=O)(O5)O)OC(C6O)N7C=NC8=C7N=C(NC8=O)N)O)O)NC(=O)CCCCCN9C(=O)C=CC9=O

Mal-Val-Ala-PABA-cGAMP is a ADC linker that can be connected to a STING agonist. Mal-Val-Ala-PABA-cGAMP can be used for the synthesis of antibody-drug conjugates (ADCs)[1].

Reference

[1]. Peter Armstrong Thompson, et al. Composition of antibody construct-agonist conjugates and methods of use thereof. WO2017100305A2.