Products 2138299-69-9
CAS 2138299-69-9 is the registry number for STING agonist-18 (diTFA). Offered by: MedChemExpress. Available pack sizes: Get quote.
1-[(E)-4-[7-(3-aminopropoxy)-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-methoxybenzimidazole-5-carboxamide;bis(2,2,2-trifluoroacetic acid) (CAS 2138299-69-9) is a chemical compound with the molecular formula C42H47F6N13O10 and a molecular weight of 1007.9 g/mol. IUPAC name: 1-[(E)-4-[7-(3-aminopropoxy)-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-methoxybenzimidazole-5-carboxamide;bis(2,2,2-trifluoroacetic acid). InChIKey: UXVVIZRIAQRWDG-YEUQMBKVSA-N.
| Molecular formula | C42H47F6N13O10 |
|---|---|
| Molecular weight | 1007.9 g/mol |
| IUPAC name | 1-[(E)-4-[7-(3-aminopropoxy)-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-methoxybenzimidazole-5-carboxamide;bis(2,2,2-trifluoroacetic acid) |
| InChIKey | UXVVIZRIAQRWDG-YEUQMBKVSA-N |
| SMILES | CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C(=CC(=C3)C(=O)N)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
Computed by PubChem (NCBI)
Synonyms:
STING agonist-18 (diTFA), orb2664528