For research use only. Not for therapeutic Use.
BPTU (CAT: I014271) is a P2Y1 antagonist, which means it inhibits the activity of the P2Y1 receptor. This receptor is involved in platelet activation and aggregation, which are key processes in thrombus formation. By blocking the P2Y1 receptor, BPTU exhibits antithrombotic efficacy, meaning it can help prevent the formation of blood clots. Additionally, BPTU has been shown to reduce bleeding liability, which is an important consideration for any antithrombotic therapy.
| Catalog Number | I014271 |
| CAS Number | 870544-59-5 |
| Synonyms | BPTU; BMS-646786; BMS 646786; BMS646786;;1-[2-(2-tert-Butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea |
| Molecular Formula | C23H22F3N3O3 |
| Purity | ≥95% |
| Target | P2Y Receptor |
| Solubility | Soluble in DMSO |
| InChI | InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) |
| InChIKey | AHFLGPTXSIRAQK-UHFFFAOYSA-N |
| SMILES | O=C(NC1=CC=C(OC(F)(F)F)C=C1)NC2=CC=CN=C2OC3=CC=CC=C3C(C)(C)C |
| Reference | </br>1: Ciancetta A, O’Connor RD, Paoletta S, Jacobson KA. Demystifying P2Y(1) Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses. J Chem Inf Model. 2017 Dec 26;57(12):3104-3123. doi: 10.1021/acs.jcim.7b00528. Epub 2017 Nov 28. PubMed PMID: 29182323.</br>2: Gao ZG, Jacobson KA. Distinct Signaling Patterns of Allosteric Antagonism at the P2Y(1) Receptor. Mol Pharmacol. 2017 Nov;92(5):613-626. doi: 10.1124/mol.117.109660. Epub 2017 Sep 1. PubMed PMID: 28864555; PubMed Central PMCID: PMC5635520.</br>3: Mañé N, Jiménez-Sábado V, Jiménez M. BPTU, an allosteric antagonist of P2Y1 receptor, blocks nerve mediated inhibitory neuromuscular responses in the gastrointestinal tract of rodents. Neuropharmacology. 2016 Nov;110(Pt A):376-385. doi: 10.1016/j.neuropharm.2016.07.033. Epub 2016 Aug 3. PubMed PMID: 27496690.</br>4: Yuan S, Chan HC, Vogel H, Filipek S, Stevens RC, Palczewski K. The Molecular Mechanism of P2Y1 Receptor Activation. Angew Chem Int Ed Engl. 2016 Aug 22;55(35):10331-5. doi: 10.1002/anie.201605147. Epub 2016 Jul 27. PubMed PMID: 27460867; PubMed Central PMCID: PMC4996126.</br>5: Zhang D, Gao ZG, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B. Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21. doi: 10.1038/nature14287. Epub 2015 Mar 30. PubMed PMID: 25822790; PubMed Central PMCID: PMC4408927.</br>6: Buckheit RW Jr, Fliakas-Boltz V, Yeagy-Bargo S, Weislow O, Mayers DL, Boyer PL, Hughes SH, Pan BC, Chu SH, Bader JP. Resistance to 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine derivatives is generated by mutations at multiple sites in the HIV-1 reverse transcriptase. Virology. 1995 Jun 20;210(1):186-93. PubMed PMID: 7540784.</br>7: Verrijk R, Smolders IJ, Huiskamp R, Gavin PR, Philipp KH, Begg AC. Pharmacokinetics in melanoma-bearing mice of 5-dihydroxyboryl-6-propyl-2-thiouracil (BPTU), a candidate compound for boron neutron capture therapy. Br J Cancer. 1994 Apr;69(4):641-7. PubMed PMID: 8142252; PubMed Central PMCID: PMC1968811.</br></br> |
