Aprepitant-d4

CAS: 1133387-60-6

Ref. TR-A729803

Información del producto

• Nombre: Aprepitant-d4
• Sinónimos: 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl-d4)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one, Emend-d4, L 754030-d4, MK 0869-d4, MK 869-d4, ONO 7436-d4
• CAS: 1133387-60-6

Descripción

Applications Aprepitant-d4 is a labeled analogue of Aprepitant (A729800), A novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Aprepitant-d4 is a potential treatment for chemotherapy induced nausea and vomiting.
References Hale, J.J., et al.: J. Med. Chem., 41, 4607 (1998); Campos, D., et al.: J. Clin. Oncol., 19, 1759 (2001); Van Belle, S., et al.: Cancer, 94, 3032 (2002); Majumdar, A.K., et al.: J. Clin. Pharmacol., 46, 291 (2006)

• Marca: TRC

Propiedades químicas

• Peso molecular: 538.45
• Fórmula: C₂₃H₁₇D₄F₇N₄O₃
• Color/Forma: White to Off-White Solid
• 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/i2D,3D,4D,5D
• Clave InChI: InChIKey=ATALOFNDEOCMKK-NSVJKUEGSA-N
• SMILES: [2H]c1c([2H])c([C@H]2[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OCCN2Cc2n[nH]c(=O)[nH]2)c([2H])c([2H])c1F