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PF-1355

CAT: 0931-T3511-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3511-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1435467-38-1
Target
Glutathione Peroxidase
Related Pathways
Metabolism
Purity
0.9993
Bioactivity
PF-1355 (PF 06281355) is a selective 2-thiouracil mechanism-based MPO inhibitor. PF-1355 is used for treatment of vasculitic diseases.
Smiles
COc1ccc(OC)c(c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
Molecular Formula
C14H15N3O4S
Molecular Weight
321.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(6-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide

a myeloperoxidase inhibitor; structure in first source

CAS Number1435467-38-1
PubChem CID71568997
IUPAC Name2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
Molecular FormulaC14H15N3O4S
Molecular Weight321.35
XLogP0.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity508
SMILES
COC1=CC(=C(C=C1)OC)C2=CC(=O)NC(=S)N2CC(=O)N
InChI
InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
InChIKey
LJBUZOGABRDGBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CAS: 1435467-38-1
CID: 71568997
Formula: C14H15N3O4S
MW: 321.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.35
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass321.07832714
Monoisotopic Mass321.07832714
Topological Polar Surface Area126 Ų
Heavy Atom Count22
Formal Charge0
Complexity508
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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Alternative Products

CatalogName
M28021-01PF-1355
A20425-50PF-1355 50mg
A20425-25PF-1355 25mg
A20425-5PF-1355 5mg
A20425-2PF-1355 2mg
A20425-10PF-1355 10mg
HY-100873RPF-1355 (Standard)
A20425-200PF-1355 200mg
A20425-100PF-1355 100mg
A20425-10mM-DPF-1355 10mM * 1mL in DMSO

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