Zafirlukast (ICI-204219) is a leukotriene receptor antagonist (LTRA) with an IC50 of 0.6μM and acts on CYP2C9 with an IC50 of 7.0 µM.

 

Brand: BCM

 

Target: Leukotriene Receptor

 

Melting Point: 139°C

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

pKa: 4.94±0.10(Predicted)

 

GHS: GHS07

 

Isomeric SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC  

 

InChIKey: YEEZWCHGZNKEEK-UHFFFAOYSA-N  

 

InChI: InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) 

 

Attribute
[Chem Name]	cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
[Synonym]	Zafirlukast; ICI-204219; Vanticon
[CAS No.]	107753-78-6
[MDL No.]	MFCD00864775
[Formula]	C31H33N3O6S
[Molecular]	575.68
[Form]	White or pink solid powder
[Storage]	Keep in dark place. Inert atmosphere. Room temperature

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