Vercirnon

Base Information

Chemical Name:Vercirnon
CAS No.:698394-73-9
Molecular Formula:C22H21ClN2O4S
Molecular Weight:444.939
Hs Code.:
UNII:MWI54OUA12
DSSTox Substance ID:DTXSID50220135
Wikidata:Q27089138
NCI Thesaurus Code:C152858
Pharos Ligand ID:G53Q5QDVQP5D
Metabolomics Workbench ID:155375
ChEMBL ID:CHEMBL2178578
Mol file:698394-73-9.mol

Synonyms:CCX282-B;GSK1605786A;Traficet-EN;vercirnon

Suppliers and Price of Vercirnon

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Vercirnon 98+%
5mg
$ 243.00

Crysdot
Vercirnon 98+%
10mg
$ 347.00

Crysdot
Vercirnon 98+%
100mg
$ 1459.00

Crysdot
Vercirnon 98+%
50mg
$ 1042.00

ChemScene
Vercirnon 98.19%
5mg
$ 420.00

ChemScene
Vercirnon 98.19%
100mg
$ 2520.00

ChemScene
Vercirnon 98.19%
50mg
$ 1800.00

ChemScene
Vercirnon 98.19%
10mg
$ 600.00

Cayman Chemical
Vercirnon
5mg
$ 335.00

Cayman Chemical
Vercirnon
1mg
$ 71.00

Total 9 raw suppliers

Chemical Property of Vercirnon

Chemical Property:

Boiling Point:672.3±65.0 °C(Predicted)
PKA:7.07±0.10(Predicted)
PSA：97.08000
Density:1.29±0.1 g/cm3(Predicted)
LogP:6.25160
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:444.0910560
Heavy Atom Count:30
Complexity:687

Purity/Quality:

97% ^*data from raw suppliers

Vercirnon 98+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical 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-]
Recent ClinicalTrials:Safety and Activity Study of an Oral Medication to Treat Moderate to Severe Crohn's Disease
Recent EU Clinical Trials:A Randomized, Double-Blind, Placebo-Controlled, Phase II Study Testing CCX282-B in the Treatment of Celiac Disease
Description Vercirnon is an orally bioavailable antagonist of chemokine receptor 9 (CCR9) with an IC50 value of 5.4 nM for inhibition of CCL25-induced calcium mobilization in Molt-4 cells. It is selective for CCR9 over CCR1-12 and CX3CR1-7 (IC50s = >10 μM for all). It also inhibits CCL25-induced Molt-4 chemotaxis in 0.1% BSA/HBSS and in 100% human AB serum (IC50s = 3.5 and 33.4 nM, respectively), as well as chemotaxis of human T cells stimulated by retinoic acid (RA) and mouse and rat thymocytes. Vercirnon binds allosterically to the intracellular side of CCR9 and prevents G protein coupling.

Technology Process of Vercirnon

There total 8 articles about Vercirnon which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 698394-72-8
4-tert-butyl-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide

: 698394-73-9
N-{4-chloro-2-[(1-oxidopyridin-4-yl)carbonyl]phenyl}-4-(1,1-dimethylethyl) benzenesulfonamide

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

Reference yield:

: 106-47-8
4-chloro-aniline

: 698394-73-9
N-{4-chloro-2-[(1-oxidopyridin-4-yl)carbonyl]phenyl}-4-(1,1-dimethylethyl) benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: boron trichloride / Trichloroethylene; dichloromethane / 0.17 h / 0 °C

1.2: 14.5 h / 20 - 85 °C

1.3: 1.5 h / 20 - 115 °C

2.1: pyridine; dmap / 24 h / 60 - 75 °C

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 16.5 h / 0 - 20 °C

With pyridine; dmap; boron trichloride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Trichloroethylene;

Reference yield:

: 52482-36-7
morpholin-4-yl(pyridin-4-yl)methanone

: 698394-73-9
N-{4-chloro-2-[(1-oxidopyridin-4-yl)carbonyl]phenyl}-4-(1,1-dimethylethyl) benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -30 - -20 °C / Inert atmosphere

1.2: 4 h / 15 - 25 °C / Inert atmosphere

1.3: 4 h / 55 - 65 °C

2.1: pyridine; dmap / 24 h / 60 - 75 °C

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 16.5 h / 0 - 20 °C

With pyridine; dmap; n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; dichloromethane;