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AZD5904

CAT: 0931-T14379-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T14379-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
618913-30-7
Target
Glutathione Peroxidase
Related Pathways
Metabolism
Purity
0.9989
Bioactivity
AZD5904 is a potent and irreversible inhibitor of human Myeloperoxidase (MPO, IC50: 140 nM) which has similar potency in mouse and rat.
Smiles
O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2[nH]cnc12
Molecular Formula
C10H12N4O2S
Molecular Weight
252.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-5904
CAS Number618913-30-7
PubChem CID10264211
IUPAC Name3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
Molecular FormulaC10H12N4O2S
Molecular Weight252.30
XLogP0.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity351
SMILES
C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3
InChI
InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
InChIKey
RSPDBEVKURKEII-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of Azd-5904
CAS: 618913-30-7
CID: 10264211
Formula: C10H12N4O2S
MW: 252.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.30
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass252.06809681
Monoisotopic Mass252.06809681
Topological Polar Surface Area102 Ų
Heavy Atom Count17
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-111341-01AZD5904
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