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MK-571-[d6] Sodium Salt

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General Information
Catalog: BLP-004773
CAS: 1263184-04-8
Molecular Formula: C26H20D6ClN2NaO3S2
Molecular Weight: 543.11

Chemical Structure

Description	MK-571-[d6] Sodium Salt is the labelled salt of MK-571, which is an effective antagonist of CysLT1 receptor and an inhibitor of MRP1.
Synonyms	MK-571-d6 Sodium Salt; 3-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino-d6)-3-oxopropyl]thio]methyl]thio]propanoic Acid Sodium Salt; Sodium (E)-3-(((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propanoate-d6
IUPAC Name	sodium:3-[[3-[bis(trideuteriomethyl)amino]-3-oxopropyl]sulfanyl-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoate
Related CAS	115103-85-0 (unlabelled) 115104-28-4 (unlabelled free acid)
Canonical SMILES	CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)[O-].[Na+]
InChI	InChI=1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;/i1D3,2D3;
InChI Key	XNAYQOBPAXEYLI-RVVHJAHASA-M
Purity	95%
Solubility	Slightly soluble in Methanol
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere