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Apafant-[d8]

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General Information
Catalog: BLP-003318
CAS: 1185101-22-7
Molecular Formula: C22H14D8ClN5O2S
Molecular Weight: 464.01

Chemical Structure

Description	Apafant-[d8] is a labelled Apafant. Apafant (WEB 2086) is a potent and selective platelet-activating factor (PAF) receptor antagonist (Ki = 16.3 nM) potentially used for the treatment of asthma and allergic rhinitis (AR). WEB 2086 exhibits an inhibitory effect on growth and proliferation of MCF-7 breast cancer cells.
Synonyms	4-[3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine-d8; WEB 2086BS-d8; WEB 2086-d8
IUPAC Name	3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propan-1-one
Related CAS	105219-56-5 (unlabelled)
Canonical SMILES	CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl
InChI	InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3/i8D2,9D2,10D2,11D2
InChI Key	JGPJQFOROWSRRS-JNJBWJDISA-N
Purity	> 98%
Storage	Hygroscopic, -20°C, under inert atmosphere