Products 2803607-99-8

CAS 2803607-99-8 is the registry number for STING agonist-49-CO-C2-mal. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

1-[(E)-4-[5-carbamoyl-7-[3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]propoxy]-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 (CAS 2803607-99-8) is a chemical compound with the molecular formula C46H52N14O9 and a molecular weight of 945.0 g/mol. IUPAC name: 1-[(E)-4-[5-carbamoyl-7-[3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]propoxy]-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. InChIKey: MIJAIMWBYINETJ-MDZDMXLPSA-N.

Identity
Molecular formulaC46H52N14O9
Molecular weight945.0 g/mol
IUPAC name1-[(E)-4-[5-carbamoyl-7-[3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]propoxy]-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
InChIKeyMIJAIMWBYINETJ-MDZDMXLPSA-N
SMILESCCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN(C)C(=O)CCN6C(=O)C=CC6=O)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C)C(=CC(=C3)C(=O)N)OC

Computed by PubChem (NCBI)

Synonyms: orb3174766