9,10-Dehydro Folitixorin-(phenylene-d4) Chloride

• CAT Number: R043153
• CAS Number: NA
• Molecular Formula: C₂₀H₂₀D₄ClN₇O₆
• Molecular Weight: 497.93
• Purity: ≥95%
• Synonyms: 3-Amino-8-[4-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]phenyl]-2,5,6,6a,7,8-hexahydro-1-oxo-1H-imidazo[1,5-f]pteridin-10-ium-d4 Chloride
• Storage: -20°C
• IUPAC Name: (2S)-2-[[4-(3-amino-1-oxo-4a,5,6,6a,7,10a-hexahydro-2H-imidazo[1,5-f]pteridin-10-ium-8-yl)-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid;chloride
• InChI: InChI=1S/C20H23N7O6.ClH/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;/h1-4,9,12-13,15-16,22H,5-8H2,(H5-,21,23,24,25,28,29,30,31,32,33);1H/t12?,13-,15?,16?;/m0./s1/i1D,2D,3D,4D
• InChIKey: RUHVYSLZCKTOQW-IQHREDHNSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N2CC3CNC4C([N+]3=C2)C(=O)NC(=N4)N)[2H].[Cl-]

9,10-Dehydro Folitixorin-(phenylene-d4) Chloride is a deuterated analog of 9,10-dehydro folitixorin, where the phenylene ring is labeled with four deuterium atoms. This compound is pivotal in research involving folate metabolism and its role in cancer therapy, particularly in studies focused on antifolate drugs and their mechanisms of action. The deuterium labeling provides enhanced stability and allows for precise tracking in mass spectrometry and NMR spectroscopy, facilitating detailed analysis of metabolic pathways and drug interactions. 9,10-Dehydro Folitixorin-(phenylene-d4) Chloride is indispensable for pharmaceutical research, offering reliable and accurate data for the development of novel therapeutics targeting folate-related pathways.