For research use only. Not for therapeutic Use.
N-Desmethyl apalutamide-d₄(CAT: I040226) is a deuterium-labeled analog of N-Desmethyl Apalutamide (HY-135331), the active metabolite of Apalutamide. It retains the biological profile of the parent metabolite, acting as a less potent androgen receptor antagonist and contributing to approximately one-third of Apalutamide’s pharmacological activity. This compound is metabolized mainly by CYP2C8 and CYP3A4 and also acts as a moderate to strong inducer of CYP3A4 and CYP2B6. Incorporation of deuterium enhances its stability and utility in pharmacokinetic studies, making it a valuable tool for drug metabolism and bioanalytical research, especially in tracing metabolic pathways and quantifying drug exposure.
| Synonyms | 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-1,1,3,3-tetradeuterio-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide |
| Molecular Formula | C20H9D4F4N5O2S |
| Purity | ≥95% |
| IUPAC Name | 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-1,1,3,3-tetradeuterio-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide |
| InChI | InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)/i4D2,5D2 |
| InChIKey | BAANHOAPFBHUDX-CQOLUAMGSA-N |
| SMILES | C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)N)F)C4=CC(=C(N=C4)C#N)C(F)(F)F |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
