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PU23

CAT: 0013-GTR19166661-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166661-01Size:2 mg
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Description
PU 23 is a small molecule inhibitor specifically targeting Multidrug Resistance-Associated Protein 4 (MRP4/ABCC4) . This compound is a valuable research tool for investigating MRP4-mediated transport in cellular efflux studies, chemoresistance mechanisms, and pharmacokinetics in both in vitro and in vivo models.
CAS Number
817635-93-1
Product Name Alternative
6-Mercaptopurine, Inhibitor, multidrug, MRP4, inhibit, protein, resistance, PU 23, PU23, PU-23
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
98.33% (May vary between batches)
Solubility
DMSO:55 mg/mL (129.25 mM)
Smiles
O=C (NC (=S) Nc1ccc (cc1) S (=O) (=O) NCc1ccccc1) c1ccccc1
Molecular Formula
C21H19N3O3S2
Molecular Weight
425.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]benzamide
CAS Number817635-93-1
PubChem CID4779049
IUPAC NameN-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]benzamide
Molecular FormulaC21H19N3O3S2
Molecular Weight425.5
XLogP4
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity643
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H19N3O3S2/c25-20(17-9-5-2-6-10-17)24-21(28)23-18-11-13-19(14-12-18)29(26,27)22-15-16-7-3-1-4-8-16/h1-14,22H,15H2,(H2,23,24,25,28)
InChIKey
RYIRRFWVFHEXTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]benzamide
CAS: 817635-93-1
CID: 4779049
Formula: C21H19N3O3S2
MW: 425.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass425.08678382
Monoisotopic Mass425.08678382
Topological Polar Surface Area128 Ų
Heavy Atom Count29
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS3617496-01PU23

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