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Daidzein-[d6]

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General Information
Catalog: BLP-010753
CAS: 291759-05-2
Molecular Formula: C15H4D6O4
Molecular Weight: 260.27

Chemical Structure

Description	Daidzein-[d6] is the labelled analogue of Daidzein. Daidzein binds to estrogen receptor β but not ERα at concentrations up to 1 mM. And it is an inhibitor of carbonic anhydrase (CA) that is selective for carbonic CAVII and CAXII (Kis = 4.2 and 56 nM, respectively) over CAI, II, and IV (Kis = >10,000, >10,000, and 718.7 nM, respectively).
Synonyms	Daidzein D6; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one-d6; 4',7-Dihydroxyisoflavone-d6; Daidzein-2',3',5',6,6',8-d6
IUPAC Name	6,8-dideuterio-7-hydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
Related CAS	486-66-8 (unlabelled)
Isomeric SMILES	[2H]C1=CC2=C(C(=C1O)[2H])OC=C(C2=O)C3=C(C(=C(C(=C3[2H])[2H])O)[2H])[2H]
Canonical SMILES	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
InChI	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/i1D,2D,3D,4D,5D,7D
InChI Key	ZQSIJRDFPHDXIC-UMCLXPAOSA-N
Boiling Point	512.837°C at 760 mmHg
Melting Point	315-323°C (dec.)
Purity	98%; ≥97% atom D
Density	1.478 g/cm3
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Pale Grey Solid
Application	The labelled aglucon of Daidzin.
Storage	Store at -20°C