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Daidzein-[3',5',8-d3]

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General Information
Catalog: BLP-010754
CAS: 220930-96-1
Molecular Formula: C15H7D3O4
Molecular Weight: 257.26

Chemical Structure

Description	Daidzein-[3',5',8-d3] 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-3',5',8-D3; 7-Hydroxy-3-(4-hydroxyphenyl-3,5-d2)-4H-1-benzopyran-4-one-8-d; 4',7-Dihydroxyisoflavone-d3; Daidzein-d3
IUPAC Name	8-deuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxychromen-4-one
Related CAS	486-66-8 (unlabelled)
Isomeric SMILES	[2H]C1=CC(=CC(=C1O)[2H])C2=COC3=C(C2=O)C=CC(=C3[2H])O
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/i3D,4D,7D
InChI Key	ZQSIJRDFPHDXIC-BKWFQMGFSA-N
Boiling Point	512.837°C at 760 mmHg
Melting Point	>300°C
Purity	97%; >98% by NMR atom D
Density	1.461 g/cm3
Solubility	Slightly soluble in DMSO, Ethanol (Heated), Methanol
Appearance	Off-white to Light Grey Solid
Storage	Store at 2-8°C