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Home Other Building Blocks 698394-73-9
698394-73-9,MFCD28137610
Catalog No.:AA00FBYF

698394-73-9 | Vercirnon

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$116.00   $81.00
- +
5mg
100%
in stock  
$323.00   $226.00
- +
25mg
100%
in stock  
$991.00   $694.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FBYF
Chemical Name:
Vercirnon
CAS Number:
698394-73-9
Molecular Formula:
C22H21ClN2O4S
Molecular Weight:
444.9311
MDL Number:
MFCD28137610
SMILES:
Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
687  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Budzinski,Julian;Huber,MaxE.;Kostenis,Evi;Merten,Nicole;Schiedel,Matthias;Schmidt,MaximilianF.;Toy,Lara;Vogt,Hannah;Weikert,Dorothee;Wiefhoff,MartinF.J.[AngewandteChemie-InternationalEdition,2022,vol.61,#12][Angew.Chem.,2022]

[2]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2004/46092,2004,A2Locationinpatent:Page63-64

[3]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2013/16174,2013,A1Locationinpatent:Page/Pagecolumn13;14

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2014/155437,2014,A1Locationinpatent:Paragraph0118;0123;0124

[5]Westphal,MatthiasV.;Wolfstädter,BerndT.;Plancher,Jean-Marc;Gatfield,John;Carreira,ErickM.[ChemMedChem,2015,vol.10,#3,p.461-469]

[6]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2005/113513,2005,A2Locationinpatent:Page/Pagecolumn158-159;180-181

698394-73-9   
4-tert-butyl-N-4-chloro-2-(2-cyano-pyridine-4-carbonyl)-phenyl-benzenesulfonamide 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2004/46092,2004,A2Locationinpatent:Page87

698394-73-9    676-58-4   
4-tert-butyl-N-(4-chloro-2-1-hydroxy-1-(1-oxypyridin-4-yl)-ethyl-phenyl)-benzenesulfonamide 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2005/113513,2005,A2Locationinpatent:Page/Pagecolumn163

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2005/113513,2005,A2Locationinpatent:Page/Pagecolumn159-160

698394-73-9   
4-tert-butyl-N-(4-chloro-2-hydroxy-(1-oxy-pyridin-4-yl)-methyl-phenyl)-benzenesulfonamide 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2005/113513,2005,A2Locationinpatent:Page/Pagecolumn161

Literature

Title: A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.

Journal: Journal of medicinal chemistry 20160414

Title: Characterization of CCX282-B, an orally bioavailable antagonist of the CCR9 chemokine receptor, for treatment of inflammatory bowel disease.

Journal: The Journal of pharmacology and experimental therapeutics 20101001

Title: 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.

Title: Bekker P, et al. CCR9 Antagonists in the Treatment of Ulcerative Colitis. Mediators Inflamm. 2015;2015:628340.

Title: Zhang J, et al. Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease. Bioorg Med Chem Lett. 2015 Sep 1;25(17):3661-4.

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