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Chemical structure of diABZI STING agonist-1

GC35853

diABZI STING agonist-1

Also known as 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

diABZI STING agonist-1 is a selective stimulator of interferon genes (STING) receptor agonist, with EC50s of 130, 186 nM for human and mouse, respectively

ChemicalCAS2138299-33-7MW849.94FormulaC42H51N13O7
CAS number
2138299-33-7
Molecular weight
849.94
Formula
C42H51N13O7
Solubility
DMSO ： 100 mg/mL (117·66 mM; Need ultrasonic)
InChIKey
JGLMVXWAHNTPRF-CMDGGOBGSA-N
Catalogue number
GC35853
Brand
GLPBIO
Computed properties PubChem CID 131986624 · XLogP 1.9 · TPSA 247 Ų · H-bond donors 4
XLogP
1.9
TPSA
247 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
18
Heavy atoms
62

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

Computed descriptors from PubChem (CID 131986624), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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