diABZI STING agonist-1 (Tautomerism)

• CAT Number: I019741
• CAS Number: 2138498-18-5
• Molecular Formula: C₄₂H₅₁N₁₃O₇
• Molecular Weight: 849.94
• Purity: ≥95%
• IUPAC Name: 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide
• InChI: InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+
• InChIKey: JGLMVXWAHNTPRF-CMDGGOBGSA-N
• SMILES: CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C)C(=CC(=C3)C(=O)N)OC

DiABZI STING agonist-1 Tautomerism (Cat.No:I019741) is a selective STING agonist with EC50 values of 130 nM and 186 nM in humans and mice, respectively. It activates the interferon gene stimulatory receptor and has potential as an immunotherapeutic agent for various diseases.

Reference

[1]. Ramanjulu JM, et al. Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature. 2018 Nov 7.