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CAY10761

CAT: 0931-T37832-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37832-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333409-31-7
Target
Others, PDE, Tyrosinase
Related Pathways
Proteases/Proteasome, Others, Metabolism
Bioactivity
CAY10761 is an inhibitor of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1; IC50s = 467 and 429 μM for the human and snake venom enzymes, respectively) .1,2 It also inhibits mushroom tyrosinase (Ki = 1.9 μM) and urease from jack bean, P. mirabilis, and B. pasteurii (IC50s = 0.093, <0.125, and 0.089 mM, respectively, at pH 8.2) .3,4
Smiles
C(CCC=1OC(=S)NN1)C=2OC(=S)NN2
Molecular Formula
C7H8N4O2S2
Molecular Weight
244.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[3-(5-Mercapto-1,3,4-oxadiazol-2-yl)propyl]-1,3,4-oxadiazole-2-thiol
CAS Number333409-31-7
PubChem CID2729453
IUPAC Name5-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]-3H-1,3,4-oxadiazole-2-thione
Molecular FormulaC7H8N4O2S2
Molecular Weight244.3
XLogP0.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity332
SMILES
C(CC1=NNC(=S)O1)CC2=NNC(=S)O2
InChI
InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)
InChIKey
XQFRUIPQODDPMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[3-(5-Mercapto-1,3,4-oxadiazol-2-yl)propyl]-1,3,4-oxadiazole-2-thiol
CAS: 333409-31-7
CID: 2729453
Formula: C7H8N4O2S2
MW: 244.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.3
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass244.00886786
Monoisotopic Mass244.00886786
Topological Polar Surface Area131 Ų
Heavy Atom Count15
Formal Charge0
Complexity332
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
462124CAY10761

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