| Identification | Back Directory | [Name]
Urea, N-[2-[2-(1,1-diMethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoroMethoxy)phenyl]- | [CAS]
870544-59-5 | [Synonyms]
BPTU
CS-2758
BMS-646786
1-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
N-[2-[2-(1,1-Dimethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoromethoxy)phenyl]urea
Urea, N-[2-[2-(1,1-diMethylethyl)phenoxy]-3-pyridinyl]-N'-[4-(trifluoroMethoxy)phenyl]- | [Molecular Formula]
C23H22F3N3O3 | [MDL Number]
MFCD28386231 | [MOL File]
870544-59-5.mol | [Molecular Weight]
445.43 |
| Chemical Properties | Back Directory | [Boiling point ]
426.3±45.0 °C(Predicted) | [density ]
1.307±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:34.29(Max Conc. mg/mL);76.98(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.67(Max Conc. mM)
DMF:15.0(Max Conc. mg/mL);33.67(Max Conc. mM)
Ethanol:29.77(Max Conc. mg/mL);66.83(Max Conc. mM) | [form ]
A solid | [pka]
12.59±0.70(Predicted) | [color ]
White to off-white | [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]
FC(F)(F)Oc1ccc(cc1)NC(=O)Nc2c(nccc2)Oc3c(cccc3)C(C)(C)C |
| Hazard Information | Back Directory | [Uses]
BPTU is a non-nucleotide antagonist of P2Y1 receptor. It blocks nerve mediated inhibitory neuromuscular responses in the gastrointestinal tract of rodents. | [Biological Activity]
Primary Target
P2Y1', 'Reversible: yes | [in vivo]
Uptake of BPTU from the peritoneal cavity is relatively rapid. Blood boron levels are maximal within 1 h after administration. After only 1 h, a boron tumor-to-blood ratio above 1 is found for BPTU in pigmented tumors, which is indicative of drug retention. This is not seen in the non-pigmented tumor variant, in which tumor boron levels closely follow blood levels. Up to 24 h, Borocaptate sodium (BSH) exhibits no selective retention in either tumor, but achieves higher maximum tumor boron concentrations than BPTU as a result of the administration of higher amounts of boron. During the tissue distribution phase, liver-to-kidney boron concentration ratios range from 2 to 4 for BSH and from 0.5 to 1 for BPTU[2]. | [IC 50]
P2Y1 Receptor | [storage]
Store at RT |
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| Company Name: |
SPIRO PHARMA
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| Tel: |
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| Website: |
www.spiropharma.com.cn |
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