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URAT1 inhibitor 6

CAT: 0013-GTR19230655-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230655-01Size:5 mg
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Description
Compound 1h (URAT1 inhibitor 6) is a potent and selective small molecule inhibitor of human URAT1 (IC50 = 35 nM), exhibiting significantly greater in vitro activity than Lesinurad and Benzbromarone. It serves as a valuable pharmacological tool for studying urate transport, hyperuricemia, and related inflammatory processes in both cellular and animal models.
CAS Number
2244807-49-4
Field of Research
Pharmacology & Drug Discovery
Smiles
[O-]C (CSC1=NN=C (Br) N1CC2=CC=CS2) =O.[Na+]
Molecular Formula
C9H7BrN3NaO2S2
Molecular Weight
356.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

URAT1 inhibitor 6
CAS Number2244807-49-4
PubChem CID168476139
IUPAC Namesodium 2-[[5-bromo-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Molecular FormulaC9H7BrN3NaO2S2
Molecular Weight356.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity291
SMILES
C1=CSC(=C1)CN2C(=NN=C2Br)SCC(=O)[O-].[Na+]
InChI
InChI=1S/C9H8BrN3O2S2.Na/c10-8-11-12-9(17-5-7(14)15)13(8)4-6-2-1-3-16-6;/h1-3H,4-5H2,(H,14,15);/q;+1/p-1
InChIKey
YOLZEFFEYBRHAT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of URAT1 inhibitor 6
CAS: 2244807-49-4
CID: 168476139
Formula: C9H7BrN3NaO2S2
MW: 356.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass354.90608
Monoisotopic Mass354.90608
Topological Polar Surface Area124 Ų
Heavy Atom Count18
Formal Charge0
Complexity291
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

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