Aprepitant
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Catalog number9531-50
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PricePlease ask
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Size50 mg
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Alternative_name5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one; Emend; L-754,030; MK-869; ONO-7436
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DescriptionAprepitant is an anti-emetic compound that acts as a selective antagonist of human NK1 receptor (Kis = 3 and 454.1 nM for hNK1 and hNK3, respectively; IC₅₀ = 0.09 nM for hNK1). Its prodrug is Fosaprepitant (Cat. No. 9529).
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CAS Number170729-80-3
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Structure AvailableYes
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Salt FormNo
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Molecular FormulaC₂₃H₂₁F₇N₄O₃
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Molecular Weight534.43
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Cell PermeableYes
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Purity≥98% by HPLC
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SolubilitiesDMSO (>30 mg/ml)
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HandlingProtect from air and light
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Tag LineA selective antagonist of human NK1 receptor
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Storage Condition-20°C
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Shipping Conditiongel pack
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Shelf Life36 months
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PubChem CID6918365
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SMILESCC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
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InChiInChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
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InChi KeyATALOFNDEOCMKK-OITMNORJSA-N
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MSDS AvailableYes
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Gene target
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Short nameAprepitant
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Alternative nameAprepitant
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