Aprepitant-d4

CAS: 1133387-60-6

Rif. TR-A729803

Informazioni sul prodotto

• Nome: Aprepitant-d4
• Sinonimi: 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

Descrizione

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)

• Marchio: TRC

Proprietà chimiche

• Peso molecolare: 538.45
• Formula: C₂₃H₁₇D₄F₇N₄O₃
• Colore/Forma: Neat
• 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
• InChI key: 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