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Chemical structure of STING agonist-22

GC69961

STING agonist-22

Also known as 3-[(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]imidazo[4,5-b]pyridine-6-carboxamide

STING agonist-22 (CF501) is an effective non-nucleotide STING agonist

ChemicalCAS2408723-12-4MW820.9FormulaC40H48N14O6
CAS number
2408723-12-4
Molecular weight
820.9
Formula
C40H48N14O6
Solubility
DMSO ： 100 mg/mL (121·82 mM; Need ultrasonic)
InChIKey
HYWPJLWOHDVWMY-BQYQJAHWSA-N
Catalogue number
GC69961
Brand
GLPBIO
Computed properties PubChem CID 146295210 · XLogP 1.2 · TPSA 250 Ų · H-bond donors 4
XLogP
1.2
TPSA
250 Ų
H-bond donors
4
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)OCCCN7CCOCC7

Computed descriptors from PubChem (CID 146295210), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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