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Glucocorticoid receptor modulator 1

CAT: 0931-T72102-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T72102-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2868357-11-1
Target
TNF, DNA/RNA Synthesis, Glucocorticoid Receptor, MMP, IL Receptor, NF-κB
Related Pathways
Cell Cycle/Checkpoint, Apoptosis, Proteases/Proteasome, NF-κB, Endocrinology/Hormones, Immunology/Inflammation, DNA Damage/DNA Repair
Purity
0.9979
Bioactivity
Glucocorticoid receptor modulator 1 is a highly effective and orally administered NF-κB and AP-1 inhibitor with IC50 values of 9 nM and 130 nM, respectively. It can downregulate the expression of inflammatory factors IL-6, IL-1β, TNF-α, and MMP-13, thereby alleviating skin inflammation.
Smiles
O=C(C=1C=CC=CC1)N2C3=CC=C(C=C3CCC2)NS(=O)(=O)C=4C=C(Cl)C(=CC4OC)C
Molecular Formula
C24H23ClN2O4S
Molecular Weight
470.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glucocorticoid receptor modulator 1
CAS Number2868357-11-1
PubChem CID166176961
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
Molecular FormulaC24H23ClN2O4S
Molecular Weight471.0
XLogP4.8
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity752
SMILES
CC1=CC(=C(C=C1Cl)S(=O)(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H23ClN2O4S/c1-16-13-22(31-2)23(15-20(16)25)32(29,30)26-19-10-11-21-18(14-19)9-6-12-27(21)24(28)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,26H,6,9,12H2,1-2H3
InChIKey
BDARZHMPJRWQLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glucocorticoid receptor modulator 1
CAS: 2868357-11-1
CID: 166176961
Formula: C24H23ClN2O4S
MW: 471.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass470.1067061
Monoisotopic Mass470.1067061
Topological Polar Surface Area84.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity752
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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