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Chemical structure of STING agonist-26

GC73407

STING agonist-26

Also known as 3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-piperazin-1-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide

STING agonist-26 (CF508) is a non-nucleotide small-molecule STING agonist

ChemicalCAS2868261-48-5MW819.91FormulaC40H49N15O5
CAS number
2868261-48-5
Molecular weight
819.91
Formula
C40H49N15O5
Solubility
DMSO ： 100 mg/mL (121·96 mM; Need ultrasonic)
InChIKey
KEKANDJOQLPZHH-BQYQJAHWSA-N
Catalogue number
GC73407
Brand
GLPBIO
Computed properties PubChem CID 168006924 · XLogP 0.9 · TPSA 253 Ų · H-bond donors 5
XLogP
0.9
TPSA
253 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
60

SMILES CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=N5)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C(=CC(=C3)C(=O)N)OCCCN7CCNCC7

Computed descriptors from PubChem (CID 168006924), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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