ent-aprepitant

CAS: 172822-29-6

Ref. 3D-FE22679

Product Information

• Name: ent-aprepitant
• Synonyms: 5-[[(2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol- 3-one[2S-[2a(R*),3a]]-5-[[2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-d
• Brand: Biosynth
• Description: Aprepitant is a drug that belongs to the class of antiemetics. It is an antagonist of the neurokinin-1 receptor (NK-1R) and blocks the apical portion of the NK-1R, preventing binding of substance P. Aprepitant also has been shown to have a matrix effect on human pharmacokinetics in vitro and to inhibit p450 activity in human serum. This drug has been found to induce apoptosis by inhibiting the expression of pro-apoptotic proteins and activating pro-survival proteins. Aprepitant has also been shown to be effective in treating solid tumours, particularly colorectal cancer, with synergism with chemotherapy drugs such as trifluoroacetic acid.

Chemical properties

• Molecular weight: 534.43 g/mol
• Formula: C₂₃H₂₁F₇N₄O₃
• Purity: Min. 95%
• Color/Form: 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-/m0/s1
• InChI key: InChIKey=ATALOFNDEOCMKK-KNMUDHKVSA-N
• SMILES: C[C@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1