Synonym
GSK1605786A; GSK 1605786A; GSK-1605786A; Vercirnon sodium
IUPAC/Chemical Name
N-(4-Chloro-2-((1-oxidopyridin-4-yl)carbonyl)phenyl)-4-(1,1-dimethylethyl) benzenesulfonamide, sodium salt
InChi Key
RWWYDQSZJIFTES-UHFFFAOYSA-M
InChi Code
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
SMILES Code
[Na+].CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c3cc[n+]([O-])cc3
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| Soluble in DMSO |
0.0 |
100.00 |
|
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
466.91
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Feagan BG, Sandborn WJ, D'Haens G, Lee SD, Allez M, Fedorak RN, Seidler U, Vermeire S, Lawrance IC, Maroney AC, Jurgensen CH, Heath A, Chang DJ. Randomised clinical trial: vercirnon, an oral CCR9 antagonist, vs. placebo as induction therapy in active Crohn's disease. Aliment Pharmacol Ther. 2015 Nov;42(10):1170-81. doi: 10.1111/apt.13398. Epub 2015 Sep 23. PubMed PMID: 26400458.
2: Zhang J, Romero J, Chan A, Goss J, Stucka S, Cross J, Chamberlain B, Varoglu M, Chandonnet H, Ryan D, Lippa B. Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease. Bioorg Med Chem Lett. 2015 Sep 1;25(17):3661-4. doi: 10.1016/j.bmcl.2015.06.046. Epub 2015 Jun 18. PubMed PMID: 26117562.
3: Löwenberg M, D'Haens G. Next-Generation Therapeutics for IBD. Curr Gastroenterol Rep. 2015 Jun;17(6):21. doi: 10.1007/s11894-015-0444-2. Review. PubMed PMID: 26031830; PubMed Central PMCID: PMC4451973.
4: Wendt E, Keshav S. CCR9 antagonism: potential in the treatment of Inflammatory Bowel Disease. Clin Exp Gastroenterol. 2015 Apr 7;8:119-30. doi: 10.2147/CEG.S48305. eCollection 2015. Review. PubMed PMID: 25897254; PubMed Central PMCID: PMC4396201.
5: Westphal MV, Wolfstädter BT, Plancher JM, Gatfield J, Carreira EM. Evaluation of tert-butyl isosteres: case studies of physicochemical and pharmacokinetic properties, efficacies, and activities. ChemMedChem. 2015 Mar;10(3):461-9. doi: 10.1002/cmdc.201402502. Epub 2015 Jan 28. PubMed PMID: 25630804.
