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MedKoo Cat#: 522473 | Name: PF-06282999
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PF-06282999 is a potent and selective myeloperoxidase Inhibitor which is potential useful for the Treatment of Cardiovascular Diseases. PF-06282999 displayed excellent oral pharmacokinetics in preclinical species and robust irreversible inhibition of plasma MPO activity both in human blood stimulated exogenously and in plasma collected after oral (po) administration to lipopolysaccharide (LPS)-treated cynomolgus monkeys. PF-06282999 has been advanced into first-in-human pharmacokinetics and safety studies.

Chemical Structure

PF-06282999
PF-06282999
CAS# 1435467-37-0

Theoretical Analysis

MedKoo Cat#: 522473

Name: PF-06282999

CAS#: 1435467-37-0

Chemical Formula: C13H12ClN3O3S

Exact Mass: 325.0288

Molecular Weight: 325.77

Elemental Analysis: C, 47.93; H, 3.71; Cl, 10.88; N, 12.90; O, 14.73; S, 9.84

Price and Availability

Size Price Availability Quantity
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,250.00 Ready to ship
500mg USD 2,450.00 Ready to ship
1g USD 3,650.00 Ready to ship
2g USD 5,950.00 Ready to ship
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Related CAS #
No Data
Synonym
PF-06282999; PF06282999; PF06282999.
IUPAC/Chemical Name
2-(6-(5-chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
InChi Key
ICYNYWFGIDGBRD-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
O=C(N)CN(C(N1)=S)C(C2=CC(Cl)=CC=C2OC)=CC1=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
PF-06282999 is a myeloperoxidase inhibitor.
In vitro activity:
The potential for induction of CYP3A4 mRNA and enzyme activity was examined in cryopreserved human hepatocytes treated with PF-06282999 at several concentrations (0.3–300 μM). PF-06282999 demonstrated moderate induction of CYP3A4 mRNA levels and midazolam-1’-hydroxylase activity in a dose-dependent fashion in all three donor hepatocytes (Fig. 1). Reference: Drug Metab Dispos. 2017 May;45(5):501-511. https://dmd.aspetjournals.org/content/45/5/501.long
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMSO 30.0 92.10
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 325.77 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Dong JQ, Gosset JR, Fahmi OA, Lin Z, Chabot JR, Terra SG, Le V, Chidsey K, Nouri P, Kim A, Buckbinder L, Kalgutkar AS. Examination of the Human Cytochrome P4503A4 Induction Potential of PF-06282999, an Irreversible Myeloperoxidase Inactivator: Integration of Preclinical, In Silico, and Biomarker Methodologies in the Prediction of the Clinical Outcome. Drug Metab Dispos. 2017 May;45(5):501-511. doi: 10.1124/dmd.116.074476. Epub 2017 Mar 2. PMID: 28254951.
In vitro protocol:
1. Dong JQ, Gosset JR, Fahmi OA, Lin Z, Chabot JR, Terra SG, Le V, Chidsey K, Nouri P, Kim A, Buckbinder L, Kalgutkar AS. Examination of the Human Cytochrome P4503A4 Induction Potential of PF-06282999, an Irreversible Myeloperoxidase Inactivator: Integration of Preclinical, In Silico, and Biomarker Methodologies in the Prediction of the Clinical Outcome. Drug Metab Dispos. 2017 May;45(5):501-511. doi: 10.1124/dmd.116.074476. Epub 2017 Mar 2. PMID: 28254951.
In vivo protocol:
TBD
1: Chaikijurajai T, Tang WHW. Myeloperoxidase: a potential therapeutic target for coronary artery disease. Expert Opin Ther Targets. 2020 Jul;24(7):695-705. doi: 10.1080/14728222.2020.1762177. Epub 2020 May 7. PMID: 32336171; PMCID: PMC7387188. 2: Roth Flach RJ, Su C, Bollinger E, Cortes C, Robertson AW, Opsahl AC, Coskran TM, Maresca KP, Keliher EJ, Yates PD, Kim AM, Kalgutkar AS, Buckbinder L. Myeloperoxidase inhibition in mice alters atherosclerotic lesion composition. PLoS One. 2019 Mar 19;14(3):e0214150. doi: 10.1371/journal.pone.0214150. PMID: 30889221; PMCID: PMC6424399. 3: Moscovitz JE, Kalgutkar AS, Nulick K, Johnson N, Lin Z, Goosen TC, Weng Y. Establishing Transcriptional Signatures to Differentiate PXR-, CAR-, and AhR- Mediated Regulation of Drug Metabolism and Transport Genes in Cryopreserved Human Hepatocytes. J Pharmacol Exp Ther. 2018 May;365(2):262-271. doi: 10.1124/jpet.117.247296. Epub 2018 Feb 12. PMID: 29440451. 4: Moscovitz JE, Lin Z, Johnson N, Tu M, Goosen TC, Weng Y, Kalgutkar AS. Induction of human cytochrome P450 3A4 by the irreversible myeloperoxidase inactivator PF-06282999 is mediated by the pregnane X receptor. Xenobiotica. 2018 Jul;48(7):647-655. doi: 10.1080/00498254.2017.1353163. Epub 2017 Jul 24. PMID: 28685622. 5: Dong JQ, Gosset JR, Fahmi OA, Lin Z, Chabot JR, Terra SG, Le V, Chidsey K, Nouri P, Kim A, Buckbinder L, Kalgutkar AS. Examination of the Human Cytochrome P4503A4 Induction Potential of PF-06282999, an Irreversible Myeloperoxidase Inactivator: Integration of Preclinical, In Silico, and Biomarker Methodologies in the Prediction of the Clinical Outcome. Drug Metab Dispos. 2017 May;45(5):501-511. doi: 10.1124/dmd.116.074476. Epub 2017 Mar 2. PMID: 28254951. 6: Dong JQ, Varma MV, Wolford A, Ryder T, Di L, Feng B, Terra SG, Sagawa K, Kalgutkar AS. 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. doi: 10.1124/dmd.115.067868. Epub 2015 Nov 25. PMID: 26608081. 7: Ruggeri RB, Buckbinder L, Bagley SW, Carpino PA, Conn EL, Dowling MS, Fernando DP, Jiao W, Kung DW, Orr ST, Qi Y, Rocke BN, Smith A, Warmus JS, Zhang Y, Bowles D, Widlicka DW, Eng H, Ryder T, Sharma R, Wolford A, Okerberg C, Walters K, Maurer TS, Zhang Y, Bonin PD, Spath SN, Xing G, Hepworth D, Ahn K, Kalgutkar AS. Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-di hydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism- Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem. 2015 Nov 12;58(21):8513-28. doi: 10.1021/acs.jmedchem.5b00963. Epub 2015 Oct 28. PMID: 26509551.