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PF-06282999

CAT: 0804-HY-19321-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-19321-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-06282999 is a potent and selective myeloperoxidase inhibitor which is potential useful for the treatment of cardiovascular diseases.
CAS Number
1435467-37-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Glutathione Peroxidase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/PF-06282999.html
Purity
99.02
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N)CN(C(C1=CC(Cl)=CC=C1OC)=C2)C(NC2=O)=S
Molecular Formula
C13H12ClN3O3S
Molecular Weight
325.77
Precautions
H302, H315, H319, H335
References & Citations
[1]Dong JQ, et al. Pharmacokinetics and Disposition of the Thiouracil Derivative PF-06282999, an Orally Bioavailable, Irreversible Inactivator of Myeloperoxidase Enzyme, Across Animals and Humans. Drug Metab Dispos. 2016 Feb;44 (2) :209-19.|[2]Ruggeri RB, et al. Discovery of 2- (6- (5-Chloro-2-methoxyphenyl) -4-oxo-2-thioxo-3,4-dihydropyrimidin-1 (2H) -yl) acetamide (PF-06282999) : A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem. 20
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Pf-06282999

Pf 06282999 is under investigation in clinical trial NCT01626976 (A Study To Assess The Safety, Tolerability And Pharmacokinetics Of PF-06282999 Administered Orally In Healthy Adult Subjects).

CAS Number1435467-37-0
PubChem CID71571306
IUPAC Name2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.77
XLogP1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity497
SMILES
COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N
InChI
InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
InChIKey
ICYNYWFGIDGBRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pf-06282999
CAS: 1435467-37-0
CID: 71571306
Formula: C13H12ClN3O3S
MW: 325.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.77
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass325.0287901
Monoisotopic Mass325.0287901
Topological Polar Surface Area117 Ų
Heavy Atom Count21
Formal Charge0
Complexity497
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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522473PF-06282999
A12517-100PF-06282999 100mg
A12517-50PF-06282999 50mg
A12517-25PF-06282999 25mg
A12517-200PF-06282999 200mg
A12517-5PF-06282999 5mg

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