Apatinib-d8 Hydrochloride

• CAT Number: C000565
• CAS Number: 2468771-44-8
• Molecular Formula: C₂₄H₁₅D₈N₅O • HCl
• Molecular Weight: 441.98
• Purity: ≥95%
• Synonyms: N-[4-(1-Cyanocyclopentyl-d8)phenyl]-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide; YN968D1-d8 Hydrochloride
• Solubility: DMSO (Slightly), Methanol (Slightly)
• Appearance: Off-White to Pale Yellow Solid
• Storage: 4°C
• IUPAC Name: N-[4-(1-cyano-2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
• InChI: InChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H/i1D2,2D2,11D2,12D2
• InChIKey: YJFMYZMORFXPKW-DBYQDOQESA-N
• SMILES: [2H]C1(C(C(C(C1([2H])[2H])(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)([2H])[2H])([2H])[2H])[2H].Cl

Apatinib-d8 Hydrochloride is a deuterated form of apatinib, where eight hydrogen atoms have been replaced with deuterium. This isotopically labeled compound is used in pharmaceutical and cancer research to study the metabolism, pharmacokinetics, and pharmacodynamics of apatinib, a tyrosine kinase inhibitor primarily used in the treatment of certain types of cancer, such as gastric cancer. The deuterium labeling allows for precise tracking and enhanced accuracy in analytical techniques such as mass spectrometry, enabling detailed investigations into the drug’s distribution, metabolism, and excretion in biological systems. Apatinib-d8 Hydrochloride is essential for researchers focused on optimizing cancer therapies, exploring drug resistance mechanisms, and improving the therapeutic efficacy and safety of apatinib in oncology.

Reference

Mi, Y. et al.: Cancer Res., 70, 7981 (2010); Tong, X.Z. et al.: Biochem. Pharmacol., 83, 586 (2012); Ding, J, et al.: J. Chrom B Anal. Technol. Biomed. Life Sci., 895, 108 (2012);