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STING18

CAT: 0931-T38162-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T38162-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2706536-26-5
Target
Others
Related Pathways
Others
Bioactivity
STING18 is a competitive ligand of stimulator of interferon genes (STING; IC50 = 0.068 μM in a radioligand binding assay) .1 It inhibits cGAMP-induced IFN-β production (IC50 = 11 μM) but does not stimulate IFN-β production (EC50 = >30 μM) in THP-1 cells.
Smiles
O=C(O)CC1C2=CC=C(F)C=C2C(=O)N(C3=CC=C(C(Cl)=C3)C(C)(C)C)C1C4=CC=C5OCCOC5=C4
Molecular Formula
C29H27ClFNO5
Molecular Weight
523.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sting18
CAS Number2706536-26-5
PubChem CID138112310
IUPAC Name2-[2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic acid
Molecular FormulaC29H27ClFNO5
Molecular Weight524.0
XLogP5.9
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity851
SMILES
CC(C)(C)C1=C(C=C(C=C1)N2C(C(C3=C(C2=O)C=C(C=C3)F)CC(=O)O)C4=CC5=C(C=C4)OCCO5)Cl
InChI
InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)
InChIKey
JAIAHSWXASHNQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sting18
CAS: 2706536-26-5
CID: 138112310
Formula: C29H27ClFNO5
MW: 524.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.0
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass523.1561788
Monoisotopic Mass523.1561788
Topological Polar Surface Area76.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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