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KPH2f

CAT: 0013-GTR19186170-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186170-01Size:25 mg
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Description
KPH2f is a potent, orally active dual inhibitor of URAT1 (IC50 0.24 μM) and GLUT9 (IC50 9.37 μM) with selectivity over OAT1 and ABCG2. It is a useful research tool for investigating urate transporter biology and hyperuricemia in both in vitro and in vivo experimental models.
CAS Number
2760615-09-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
[Na+].[O-]C (=O) c1ccccc1CSc1ccncc1Nc1ccc (C#N) c2ccccc12
Molecular Formula
C24H16N3NaO2S
Molecular Weight
433.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium 2-[[3-[(4-cyanonaphthalen-1-yl)amino]-4-pyridinyl]sulfanylmethyl]benzoate
CAS Number2760615-09-4
PubChem CID163196377
IUPAC Namesodium 2-[[3-[(4-cyanonaphthalen-1-yl)amino]-4-pyridinyl]sulfanylmethyl]benzoate
Molecular FormulaC24H16N3NaO2S
Molecular Weight433.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity642
SMILES
C1=CC=C(C(=C1)CSC2=C(C=NC=C2)NC3=CC=C(C4=CC=CC=C43)C#N)C(=O)[O-].[Na+]
InChI
InChI=1S/C24H17N3O2S.Na/c25-13-16-9-10-21(20-8-4-3-6-18(16)20)27-22-14-26-12-11-23(22)30-15-17-5-1-2-7-19(17)24(28)29;/h1-12,14,27H,15H2,(H,28,29);/q;+1/p-1
InChIKey
VFQCYGPPRZHSKX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2-[[3-[(4-cyanonaphthalen-1-yl)amino]-4-pyridinyl]sulfanylmethyl]benzoate
CAS: 2760615-09-4
CID: 163196377
Formula: C24H16N3NaO2S
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass433.08609222
Monoisotopic Mass433.08609222
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T62432-01KPH2f

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