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Vercirnon (sodium)

CAT: 0804-HY-15724A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15724A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vercirnon (GSK1605786A) sodium is an orally bioavailable, selective, and potent antagonist of CCR9. Vercirnon sodium inhibits CCR9-mediated Ca2+ mobilization and chemotaxis on Molt-4 cells with IC50 values of 5.4 and 3.4 nM, respectively. Vercirnon sodium is selective for CCR9 over CCR1-12 and CX3CR1-7 (IC50s>10 μM for all) . Vercirnon sodium is an equipotent inhibitor of CCL25-directed chemotaxis of both splice forms of CCR9 (CCR9A and CCR9B) with IC50 values of 2.8 and 2.6 nM, respectively[1].
CAS Number
886214-18-2
Product Name Alternative
GSK-1605786 (sodium) ; CCX282-B (sodium) ; Traficet-EN (sodium)
UNSPSC
12352005
Target
CCR
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/vercirnon-sodium.html
Concentration
10mM
Purity
98.04
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=C(C(C)(C)C)C=C1)([N-]C2=CC=C(Cl)C=C2C(C3=CC=[N+]([O-])C=C3)=O)=O.[Na+]
Molecular Formula
C22H20ClN2NaO4S
Molecular Weight
466.91
References & Citations
[1]Walters MJ, et al. Characterization of CCX282-B, an orally bioavailable antagonist of the CCR9 chemokine receptor, for treatment of inflammatory bowel disease. J Pharmacol Exp Ther. 2010 Oct;335 (1) :61-9.|[2]Bekker P, et al. CCR9 Antagonists in the Treatment of Ulcerative Colitis. Mediators Inflamm. 2015;2015:628340.|[3]Zhang J, et al. Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease. Bioorg Med Chem Lett. 2015 Sep 1;25 (17) :3661-4.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CCR9

Chemical Information

Vercirnon Sodium

See also: Vercirnon (has active moiety).

CAS Number886214-18-2
PubChem CID140650927
IUPAC Namesodium (4-tert-butylphenyl)sulfonyl-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]azanide
Molecular FormulaC22H20ClN2NaO4S
Molecular Weight466.9
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity693
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-].[Na+]
InChI
InChI=1S/C22H21ClN2O4S.Na/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;/h4-14H,1-3H3,(H,24,26);/q;+1/p-1
InChIKey
RWWYDQSZJIFTES-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Vercirnon Sodium
CAS: 886214-18-2
CID: 140650927
Formula: C22H20ClN2NaO4S
MW: 466.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass466.0730003
Monoisotopic Mass466.0730003
Topological Polar Surface Area86.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19188703-01Vercirnon sodium
BA5246-1Vercirnon
A21315-5Vercirnon 5mg
A21315-100Vercirnon 100mg
A21315-500Vercirnon 500mg
A21315-10Vercirnon 10mg
A21315-1Vercirnon 1mg

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