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GSK682753A (Standard)

CAT: 0804-HY-101192RSize: 1 EachDry Ice: NoHazardous: No
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Description
GSK682753A (Standard) is the analytical standard of GSK682753A. This product is intended for research and analytical applications. GSK682753A is a selective and highly potent inverse agonist of the epstein-barr virus-induced receptor 2 (EBI2) with an IC50 of 53.6 nM.
CAS Number
1334294-76-6
Target
EBI2/GPR183; Reference Standards
Related Pathways
GPCR/G Protein; Others
Field of Research
Inflammation/Immunology
Smiles
O=C1OC2(CCN(C(/C=C/C3=CC=C(Cl)C=C3)=O)CC2)CN1CC4=CC=C(Cl)C(Cl)=C4
Molecular Formula
C23H21Cl3N2O3
Molecular Weight
479.78
References & Citations
[1]Benned-Jensen T, et al. Ligand modulation of the Epstein-Barr virus-induced seven-transmembrane receptor EBI2: identification of a potent and efficacious inverse agonist. J Biol Chem. 2011 Aug 19;286 (33) :29292-302.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Gsk682753A
CAS Number1334294-76-6
PubChem CID126843232
IUPAC Name8-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular FormulaC23H21Cl3N2O3
Molecular Weight479.8
XLogP5.2
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity688
SMILES
C1CN(CCC12CN(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+
InChIKey
RDDLWMWIRXGSJM-XBXARRHUSA-N
Chemical Structure
2D Structure
2D structure of Gsk682753A
CAS: 1334294-76-6
CID: 126843232
Formula: C23H21Cl3N2O3
MW: 479.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.8
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass478.061776
Monoisotopic Mass478.061776
Topological Polar Surface Area49.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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