SML2215

Aprepitant

≥98% (HPLC), NK1 receptor antagonist, powder

• Synonym(e): Aprepitant, 3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis-(trifluormethyl)-phenyl]-ethoxy]-3-(4-fluorphenyl)-morpholino]-methyl]-1H-1,2,4-triazol-5(4H)-on, 5-[[(2R,3S)-2-[(1R)-1-[Bis-(trifluormethyl)-phenyl]-ethoxy]-3-(4-fluorphenyl)-4-morpholinyl]-methyl]-1,2-dihydro-3H-1,2,4-triazol-3-on
• Empirische Formel (Hill-System): C₂₃H₂₁F₇N₄O₃
• CAS-Nummer: 170729-80-3
• Molekulargewicht: 534.43
• NACRES: NA.77
• UNSPSC Code: 12352200
• MDL number: MFCD12912491
• Assay: ≥98% (HPLC)
• Form: powder

Eigenschaften

• Produktname: Aprepitant, ≥98% (HPLC)
• assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D +61 to +71°, c = 1.0 in methanol
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −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

Beschreibung

Application

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.

Biochem/physiol Actions

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.

Sicherheitshinweise

• Lagerklasse: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable