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STING modulator-3

CAT: 0013-GTR19212663-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212663-03Size:100 mg
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Description
STING modulator-3 is a potent small molecule inhibitor of the R232 STING variant with a Ki of 43.1 nM. It selectively blocks this STING isoform without affecting IRF-3 activation or TNF-β production in THP-1 cells. This compound is a valuable tool for dissecting STING-dependent signaling in immunological and inflammatory research, both in vitro and in vivo.
CAS Number
2839639-94-8
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
CN1C (C2=C3C (=CC (C (N) =O) =N2) N (C) N=C3) =NC (=C1) C=4N (CC#N) N=C (C) C4
Molecular Formula
C18H17N9O
Molecular Weight
375.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

STING modulator-3
CAS Number2839639-94-8
PubChem CID165170548
IUPAC Name4-[4-[2-(cyanomethyl)-5-methylpyrazol-3-yl]-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
Molecular FormulaC18H17N9O
Molecular Weight375.4
XLogP-0.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity650
SMILES
CC1=NN(C(=C1)C2=CN(C(=N2)C3=C4C=NN(C4=CC(=N3)C(=O)N)C)C)CC#N
InChI
InChI=1S/C18H17N9O/c1-10-6-15(27(24-10)5-4-19)13-9-25(2)18(23-13)16-11-8-21-26(3)14(11)7-12(22-16)17(20)28/h6-9H,5H2,1-3H3,(H2,20,28)
InChIKey
FABUXAHVXJIHGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of STING modulator-3
CAS: 2839639-94-8
CID: 165170548
Formula: C18H17N9O
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass375.15560620
Monoisotopic Mass375.15560620
Topological Polar Surface Area133 Ų
Heavy Atom Count28
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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