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Vercirnon

CAT: 0957-E0395-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0395-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vercirnon (GSK1605786A, CCX-282, Traficet-EN), an orally bioavailable, selective, and potent antagonist of CCR9, is an equipotent inhibitor of CCL25-directed chemotaxis of both splice forms of CCR9.
CAS Number
698394-73-9
Synonyms
GSK-1605786, CCX-282, Traficet-EN
Target
CCR
Activity
GPCR & G Protein
Molecular Formula
C22H21ClN2O4S
Storage Conditions
3 years -20°C powder

Chemical Information

Vercirnon

Vercirnon is a novel, orally active anti-inflammatory agent that targets a chemokine receptor protein implicated in both Crohn's disease and ulcerative colitis, the two principal forms of IBD. It is under investigation in clinical trial NCT01611805 (Japanese Phase I of GSK1605786).

CAS Number698394-73-9
PubChem CID10343454
IUPAC Name4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.9
XLogP4.6
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity687
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]
InChI
InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
InChIKey
JRWROCIMSDXGOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vercirnon
CAS: 698394-73-9
CID: 10343454
Formula: C22H21ClN2O4S
MW: 444.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.9
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass444.0910560
Monoisotopic Mass444.0910560
Topological Polar Surface Area97.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity687
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

Alternative Products

CatalogName
BA5246-1Vercirnon
HY-15724A-01Vercirnon (sodium)
A21315-5Vercirnon 5mg
A21315-100Vercirnon 100mg
GTR19188703-01Vercirnon sodium
A21315-500Vercirnon 500mg
A21315-10Vercirnon 10mg
A21315-1Vercirnon 1mg
HY-15724R-01Vercirnon (Standard)

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