|1-(2-(2-(叔丁基)苯氧基)吡啶-3-基)-3-(4-(三氟甲氧基)苯基)脲|CsnPharm

CAS No.: 870544-59-5

1-(2-(2-(tert-Butyl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea Catalog No. CSN21162

Synonyms: BMS-646786

BPTU allosteric antagonist of P2Y1 wtih IC50 of 0.06-0.3 μM with antithrombotic effect and reduces platelet aggregation.

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实验方案

技术信息

生物活性

描述BPTU is a P2Y1 allosteric antagonist as an antithrombotic agent, which binds receptor entirely outside of the helical bundle. BPTU dose-dependently inhibited purinergic inhibitory junction potentials and inhibition of spontaneous motility induced by electrical field stimulation in the colon of rats (EC50 = 0.3 μM) and mice (EC50 = 0.06 μM) ^[1].BPTU blocked colon nicotine induced relaxation in the rat colon^[1]. In the rat colon, the P2Y agonist ADPβS at 10 μM significantly reduces spontaneous contractions, and this reduction is blocked by BPTU at a concentration of 3 μM^[1]. Also, the selective P2Y1 agonist MRS2365, at a concentration of 5 μM significantly reduces spontaneous contractions in the murine colon, and this reduction is blocked by BPTU at a concentration of 3 μM^[1].BPTU binds to an allosteric pocket on the external receptor interface with the lipid bilayer, located entirely outside of the helical bundle^[2]. BPTU prefers partitioning into the interface of polar/lipophilic region of the lipid bilayer before associating with the receptor^[3]. Then, it interacts with the second extracellular loop of the receptor and reaches the binding site through the lipid-receptor interface^[3].
参考文献

[1] 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. PMID: 27496690.
[2] 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. PMID: 25822790; PMCID: PMC4408927.
[3] Yuan X, Raniolo S, Limongelli V, Xu Y. The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled Receptor. J Chem Theory Comput. 2018 May 8;14(5):2761-2770. doi: 10.1021/acs.jctc.8b00046. Epub 2018 Apr 27. PMID: 29660291.

实验方案

计算器摩尔计算器总药量计算器工作液计算器
储存液制备
- 1 mg
- 5 mg
- 10 mg
- 1 mM
- 2.2450 mL
- 11.2250 mL
- 22.4500 mL
- 5 mM
- 0.4490 mL
- 2.2450 mL
- 4.4900 mL
- 10 mM
- 0.2245 mL
- 1.1225 mL
- 2.2450 mL

技术信息

CAS号

870544-59-5

储存条件

粉末: Keep in dark place,Sealed in dry,Room Temperature

液体: -20°C:3-6 月 -80°C:12月

分子式

C23H22F3N3O3

运输

蓝冰

分子量

445.43

别名

BMS-646786

溶解度

DMSO	30.0 mg/mL (67.3 mM)
Water	Insoluble

动物实验配方

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1-(2-(2-(tert-Butyl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea Catalog No. CSN21162

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