STING agonist-8 dihydrochloride

• CAT Number: I041422
• Molecular Formula: C41H48Cl2N14O4
• Molecular Weight: 871.82
• Purity: ≥95%
• Synonyms: 8-[3-(azetidin-3-yl)propoxy]-9-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)pyrimido[4,5-b]indole-6-carboxamide;dihydrochloride
• InChI: InChI=1S/C41H46N14O4.2ClH/c1-5-54-31(14-23(3)50-54)37-45-22-29-28-16-26(35(42)56)18-33(59-13-9-10-25-19-44-20-25)34(28)52(38(29)48-37)11-7-8-12-53-39-30(17-27(21-46-39)36(43)57)47-41(53)49-40(58)32-15-24(4)51-55(32)6-2;;/h7-8,14-18,21-22,25,44H,5-6,9-13,19-20H2,1-4H3,(H2,42,56)(H2,43,57)(H,47,49,58);2*1H/b8-7+
• InChIKey: XXKOTEQSCVJNHZ-MIIBGCIDSA-N
• SMILES: CCN1C(=CC(=N1)C)C2=NC=C3C4=C(C(=CC(=C4)C(=O)N)OCCCC5CNC5)N(C3=N2)CC=CCN6C7=C(C=C(C=N7)C(=O)N)N=C6NC(=O)C8=CC(=NN8CC)C.Cl.Cl

STING agonist-8 dihydrochloride (compound 5-AB) is a potent STING agonist with an EC50 of 27 nM in THP1-Dual KI-hSTING-R232 cells[1].

Reference

[1]. Heterocyclic compounds as sting modulators. WO2021239068A1.