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STING modulator-4

CAT: 0013-GTR19212662-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212662-01Size:25 mg
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Description
STING Modulator-4 is a competitive inhibitor of the R232H STING variant with a K_i of 0.0933 μM, though it shows weak activity (EC_50 >10 μM) for p-IRF3 activation in THP-1 cells. This small molecule is a useful research tool for investigating STING signaling and its variants in biochemical and cellular assays.
CAS Number
2839639-72-2
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=CC4
Molecular Formula
C17H18N8O
Molecular Weight
350.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

STING modulator-4
CAS Number2839639-72-2
PubChem CID165170527
IUPAC Name4-[4-(2-ethylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
Molecular FormulaC17H18N8O
Molecular Weight350.4
XLogP-0.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity533
SMILES
CCN1C(=CC=N1)C2=CN(C(=N2)C3=C4C=NN(C4=CC(=N3)C(=O)N)C)C
InChI
InChI=1S/C17H18N8O/c1-4-25-13(5-6-19-25)12-9-23(2)17(22-12)15-10-8-20-24(3)14(10)7-11(21-15)16(18)26/h5-9H,4H2,1-3H3,(H2,18,26)
InChIKey
ZWGMDXYLOOIUHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of STING modulator-4
CAS: 2839639-72-2
CID: 165170527
Formula: C17H18N8O
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass350.16035723
Monoisotopic Mass350.16035723
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity533
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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