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NARS-3′

CAT: 0931-T210957-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210957-01Size:10 mg
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CAS Number
2702589-46-4
Target
Xanthine Oxidase
Related Pathways
Metabolism
Bioactivity
NARS-3′ is an inhibitor of xanthine oxidase (XO), with an IC50 value of 21.01 μM. It competitively inhibits XO activity, thereby reducing uric acid production. Additionally, NARS-3′ helps mitigate renal damage and is applicable in hyperuricemia research.
Smiles
O=C1C2=C(OC(C1)C3=CC=C(C(S(=O)([O-])=O)=C3)O)C=C(O)C=C2O.[Na+]
Molecular Formula
C15H11NaO8S
Molecular Weight
374.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 5-(3,4-dihydro-5,7-dihydroxy-4-oxo-2H-chromen-2-yl)-2-hydroxybenzenesulfonate
CAS Number2702589-46-4
PubChem CID133556067
IUPAC Namesodium 5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxybenzenesulfonate
Molecular FormulaC15H11NaO8S
Molecular Weight374.3
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity591
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C15H12O8S.Na/c16-8-4-10(18)15-11(19)6-12(23-13(15)5-8)7-1-2-9(17)14(3-7)24(20,21)22;/h1-5,12,16-18H,6H2,(H,20,21,22);/q;+1/p-1
InChIKey
YKMQPPSPZAFXSV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 5-(3,4-dihydro-5,7-dihydroxy-4-oxo-2H-chromen-2-yl)-2-hydroxybenzenesulfonate
CAS: 2702589-46-4
CID: 133556067
Formula: C15H11NaO8S
MW: 374.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass374.00723276
Monoisotopic Mass374.00723276
Topological Polar Surface Area153 Ų
Heavy Atom Count25
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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