SML2215

Aprepitant

≥98% (HPLC)

• Sinônimo(s): 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, 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, Emend, L-754030, MK 869, MK-0869, ONO 7436, 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, 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
• Fórmula empírica (Notação de Hill): C₂₃H₂₁F₇N₄O₃
• Número CAS: 170729-80-3
• Peso molecular: 534.43
• Número MDL: MFCD12912491
• Código UNSPSC: 12352200
• NACRES: NA.77

Propriedades

• Ensaio: ≥98% (HPLC)
• Formulário: powder
• atividade óptica: [α]/D +61 to +71°, c = 1.0 in methanol
• cor: white to beige
• solubilidade: DMSO: 2 mg/mL, clear
• temperatura de armazenamento: −20°C
• cadeia de caracteres SMILES: 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
• chave InChI: ATALOFNDEOCMKK-BYYRLHKVSA-N

Descrição

Aplicação

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.[1]

Ações bioquímicas/fisiológicas

Aprepitant is an antiemetic drug.[2] It is a moderate cytochrome P450 3A4 (CYP3A4) inhibitor.[3] It is capable of crossing the blood brain barrier in humans. In animals, aprepitant can cross the placental barrier.[2] 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,[4] and being investigated for other activity including possible treatment for depression and pruritis.

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable