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Chemical structure of STING agonist-12

GC65282

STING agonist-12

Also known as 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

STING agonist-12 (Compound 53) is a potent, orally active human STING activator with an EC50 of 185 nM

ChemicalCAS2259624-71-8MW490.88FormulaC25H19ClF4N2O2
CAS number
2259624-71-8
Molecular weight
490.88
Formula
C25H19ClF4N2O2
Solubility
DMSO : 250 mg/mL (509·29 mM; Need ultrasonic)
InChIKey
OEBVYNULNKSONR-UHFFFAOYSA-N
Catalogue number
GC65282
Brand
GLPBIO
Computed properties PubChem CID 137367538 · XLogP 5.2 · TPSA 49.4 Ų · H-bond donors 1
XLogP
5.2
TPSA
49.4 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

SMILES CC1(C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3F)F)F)N(C1=O)CC4=C(C=CC=C4Cl)F)C

Computed descriptors from PubChem (CID 137367538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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