Merck
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SML2215

Sigma-Aldrich

Aprepitant

≥98% (HPLC)

Synonym(s):
Emend, MK 869, ONO 7436, 5-[[(2R,3S)-2-[(1R)-1-[3,5bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3one, Aprepitant, 3H-1,2,4-Triazol-3-one, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro, 3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one, L-754030, 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, MK-0869
Empirical Formula (Hill Notation):
C23H21F7N4O3
CAS Number:
Molecular Weight:
534.43
Número MDL:
NACRES:
NA.77

ensayo

≥98% (HPLC)

formulario

powder

actividad óptica

[α]/D +61 to +71°, c = 1.0 in methanol

color

white to beige

solubilidad

DMSO: 2 mg/mL, clear

temp. de almacenamiento

−20°C

SMILES string

FC1=CC=C([C@@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC3)N3CC4=NNC(N4)=O)C=C1

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-BYYRLHKVSA-N

Aplicación

Aprepitant has been used as neurokinin 1 (NK1) receptor antagonist in dorsal root ganglion (DRG) derived cells and bone marrow mesenchymal stem cells (BMSCs) coculture.

Acciones bioquímicas o fisiológicas

Aprepitant is an antiemetic drug. It is a moderate cytochrome P450 3A4 (CYP3A4) inhibitor. It is capable of crossing the blood brain barrier in humans. In animals, aprepitant can cross the placental barrier. Aprepitant is a potent and selective antagonist of human substance P/neurokinin 1 (NK1) receptors used clinically to treat chemotherapy-induced or post-operative nausea and vomiting, and being investigated for other activity including possible treatment for depression and pruritis.

Código de clase de almacenamiento

11 - Combustible Solids

WGK

WGK 3

Punto de inflamabilidad F

Not applicable

Punto de inflamabilidad C

Not applicable

Certificate of Analysis

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Certificate of Origin

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