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GSK2239633A (Standard)

CAT: 0804-HY-100183RSize: 1 EachDry Ice: NoHazardous: No
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Description
GSK2239633A (Standard) is the analytical standard of GSK2239633A. This product is intended for research and analytical applications. GSK2239633A is a CC-chemokine receptor 4 (CCR4) antagonist, which inhibits the binding of [125I]-TARC to human CCR4 with a pIC50 of 7.96.
CAS Number
1240516-71-5
Target
CCR; Reference Standards
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Others
Field of Research
Inflammation/Immunology; Endocrinology
Smiles
CC(C)(O)C(NCC1=CC=CC(CN2N=C(NS(=O)(C3=CC=C(Cl)S3)=O)C4=C2C=CC=C4OC)=C1)=O
Molecular Formula
C24H25ClN4O5S2
Molecular Weight
549.06
References & Citations
[1]Cahn A, et al. Safety, tolerability, pharmacokinetics and pharmacodynamics of GSK2239633, a CC-chemokine receptor 4 antagonist, in healthy male subjects: results from an open-label and from a randomised study. BMC Pharmacol Toxicol. 2013 Feb 28;14:14.|[2]Slack RJ, et al. Antagonism of human CC-chemokine receptor 4 can be achieved through three distinct binding sites on the receptor. Pharmacol Res Perspect. 2013 Dec;1 (2) :e00019.|[3]Miah AH, et al. Identification of pyrazolopyrimidine arylsulfonamides as CC-chemokine receptor 4 (CCR4) antagonists. Bioorg Med Chem. 2017 Oct 15;25 (20) :5327-5340.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-(methyloxy)-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methylpropanamide

structure in first source

CAS Number1240516-71-5
PubChem CID46861584
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
Molecular FormulaC24H25ClN4O5S2
Molecular Weight549.1
XLogP4
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity873
SMILES
CC(C)(C(=O)NCC1=CC(=CC=C1)CN2C3=C(C(=CC=C3)OC)C(=N2)NS(=O)(=O)C4=CC=C(S4)Cl)O
InChI
InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)
InChIKey
YTEVTHHGQMUPHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-(methyloxy)-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methylpropanamide
CAS: 1240516-71-5
CID: 46861584
Formula: C24H25ClN4O5S2
MW: 549.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.1
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass548.0954900
Monoisotopic Mass548.0954900
Topological Polar Surface Area159 Ų
Heavy Atom Count36
Formal Charge0
Complexity873
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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Alternative Products

CatalogName
BA5251-5.1GSK2239633A
A12175-100GSK2239633A 100mg
A12175-10GSK2239633A 10mg
A12175-1GSK2239633A 1mg
A12175-50GSK2239633A 50mg
A12175-25GSK2239633A 25mg
A12175-5GSK2239633A 5mg
A12175-10mM-DGSK2239633A 10mM * 1mL in DMSO
abx098954-01Standard

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