Description
Aprepitant 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).
Aprepitant 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).
Alternate Name/Synonyms: 5-[[(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
Appearance: Off-white solid
Formulation: N/A
CAS Number: 170729-80-3
Structure Available?: Yes
Peptide sequence: N/A
Salt Form: No
Molecular Formula: C₂₃H₂₁F₇N₄O₃
Molecular Weight: 534.43
Cell-Permeable?: Yes
Purity: ≥98% by HPLC
Solubilities: DMSO (>30 mg/ml)
Handling: Protect from air and light
Country of Origin: USA
Tag Line: A selective antagonist of human NK1 receptor
MDL Number: N/A
PubChem CID: 6918365
SMILES: CC(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
InChi: InChI=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
InChi Key: ATALOFNDEOCMKK-OITMNORJSA-N
Additional Information
Storage Condition: |
-20°C |
Shipping Condition: |
Gel Pack |
Shelf Life: |
36 months |