Aprepitant D4

Chemical Name Aprepitant D4
Alternate Names Aprepitant Stable Isotopes, Stable Isotopes of Aprepitant
CAT No. CS-O-06411
CAS Registry# 1133387-60-6
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 538.45 g/mol
Mol. For. C₂₃H₁₇D₄F₇N₄O₃
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Aprepitant
Purity 95%
Therapeutic Anti-Cancer / Oncology
Smileys O=C1NC(CN(CCO2)[C@@H](C(C([2H])=C3[2H])=C(C([2H])=C3F)[2H])[C@H]2O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)=NN1
Canonical Smiles CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
InchIKey ATALOFNDEOCMKK-NSVJKUEGSA-N
Inchl 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
IUPAC 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Controlled No
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Aprepitant D4 is a deuterated form of Aprepitant, which is a neurokinin-1 (NK1) receptor antagonist used in the prevention of chemotherapy-induced nausea and vomiting. It is a selective antagonist of the NK1 receptor, which plays a crucial role in the emetic response to chemotherapy. Aprepitant D4 is used in combination with other antiemetic agents for the prevention of acute and delayed nausea and vomiting associated with highly emetogenic chemotherapy. The chemical formula of Aprepitant D4 is C23H22D4F6N4O, and its molecular weight is 494.51 g/mol. It is a white to off-white crystalline powder that is insoluble in water but soluble in methanol and ethanol. The deuterated form of Aprepitant is used in pharmacokinetic studies to determine the metabolic pathways of the drug and its active metabolites. Aprepitant D4 is metabolized primarily by CYP3A4 and is excreted in the feces and urine. It has a half-life of approximately 12 hours and reaches maximum plasma concentrations within 3 hours of oral administration. The recommended dosage of Aprepitant D4 varies depending on the type of chemotherapy and the patient's medical history. In conclusion, Aprepitant D4 is a useful tool in pharmacokinetic research and is commonly used in combination with other antiemetic agents for the prevention of chemotherapy-induced nausea and vomiting. Its selective antagonism of the NK1 receptor makes it an effective treatment option for patients undergoing highly emetogenic chemotherapy.

Related Compounds

Aprepitant benzyl intermediate D4 | rac-Aprepitant-D4 | Fosaprepitant D4 | Aprepitant intermediate D4 | Fosaprepitant D4 Dimeglumine | Aprepitant-13C2,d2 (Major) | Fosaprepitant dimeglumine 13C6 |

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