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Chemical structure of diABZI STING agonist-1 trihydrochloride

GC35855

diABZI STING agonist-1 trihydrochloride

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;trihydrochloride

diABZI STING agonist-1 trihydrochloride, as a STING agonist, is internalized into the cytoplasm through unknown receptor and induce the activation and dimerization of STING followed by TBK1/IRF3 phosporylation leading to type I IFN response

ChemicalCAS2138299-34-8MW959.32FormulaC42H54Cl3N13O7
CAS number
2138299-34-8
Molecular weight
959.32
Formula
C42H54Cl3N13O7
Solubility
DMSO： 125 mg/mL (130·30 mM)
InChIKey
CKESNWHACHILIV-BILRHTGOSA-N
Catalogue number
GC35855
Brand
GLPBIO
Computed properties PubChem CID 137701219 · TPSA 247 Ų · H-bond donors 7 · H-bond acceptors 12
TPSA
247 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
18
Heavy atoms
65

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.Cl.Cl.Cl

Computed descriptors from PubChem (CID 137701219), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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