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Vercirnon

Base Information Edit
  • 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
Vercirnon

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

Suppliers and Price of Vercirnon
Supply Marketing:Edit
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 6 raw suppliers
Chemical Property of Vercirnon Edit
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:

99% *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:
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;
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;
Refernces Edit
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