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G10 (STING agonist-1)

CAT: 0957-S8954-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8954-01Size:5 mg
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Description
G10 (STING agonist-1) is a novel human-specific STING agonist that triggers IFN regulatory factor 3 (IRF3) / type I interferon (IFN) -associated transcription in human fibroblasts. STING agonist-1 (G10) potently reduces growth of Chikungunya virus (CHIKV) with IC90 of 8.01 μM and blocks replication of Alphavirus species Venezuelan Equine Encephalitis Virus (VEEV) with IC90 of 24.57 μM.
CAS Number
702662-50-8
Target
IFN
Activity
Immunology & Inflammation
Molecular Formula
C21H16ClFN2O3S
Storage Conditions
3 years -20°C powder

Chemical Information

4-((2-chloro-6-fluorophenyl)methyl)-N-((furan-2-yl)methyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CAS Number702662-50-8
PubChem CID5077622
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
Molecular FormulaC21H16ClFN2O3S
Molecular Weight430.9
XLogP3.7
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity612
SMILES
C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F
InChI
InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)
InChIKey
NAGKYJATVFXZKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-chloro-6-fluorophenyl)methyl)-N-((furan-2-yl)methyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CAS: 702662-50-8
CID: 5077622
Formula: C21H16ClFN2O3S
MW: 430.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass430.0554194
Monoisotopic Mass430.0554194
Topological Polar Surface Area87.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity612
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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