For research use only. Not for therapeutic Use.
STING agonist-3 trihydrochloride, extracted from patent WO2017175147A1 (example 10), is a selective and non-nucleotide small-molecule STING agonist with a pEC50 and pEC50 of 7.5 and 9.5, respectively. STING agonist-3 trihydrochloride has durable anti-tumor effect and tremendous potential to improve treatment of cancer[1].
STING agonist-3 trihydrochloride exhibits a pEC50 value of 7.5 in activation of STING in cells, this assay is determined using a luciferase reporter assay in human embryonic kidney cells (HEK293T) co-transfected with plasmids expressing STING and the enzyme firefly luciferase driven by the interferon stimulated response element promoter[1].
STING agonist-3 trihydrochloride exhibits a pIC50 value of 9.5 in FRET assay. This is a competition binding assay which aims to determine the binding potency of molecules to the C-terminal Domain (CTD) of human STING[1].
| Catalog Number | I046107 |
| Synonyms | 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazole-5-carboxamide;trihydrochloride |
| Molecular Formula | C37H45Cl3N12O6 |
| Purity | ≥95% |
| InChI | InChI=1S/C37H42N12O6.3ClH/c1-5-48-28(16-21(3)44-48)34(53)42-36-40-25-18-23(32(38)51)10-11-27(25)46(36)12-7-8-13-47-31-26(19-24(33(39)52)20-30(31)55-15-9-14-50)41-37(47)43-35(54)29-17-22(4)45-49(29)6-2;;;/h7-8,10-11,16-20,50H,5-6,9,12-15H2,1-4H3,(H2,38,51)(H2,39,52)(H,40,42,53)(H,41,43,54);3*1H/b8-7+;;; |
| InChIKey | JMORLKPRVQRPOR-SYVONOGFSA-N |
| SMILES | CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2CC=CCN4C5=C(C=C(C=C5OCCCO)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C=CC(=C3)C(=O)N.Cl.Cl.Cl |
| Reference | [1]. Adam Kenneth, et al. Heterocyclic amides useful as protein modulators.patent WO2017175147A1 |
