Dihydro-3-(3-pyridoyl)-2-(3H)-furanone-d4

CAS: 59578-61-9

Ref. TR-D449302

Informação sobre produto

• Nome: Dihydro-3-(3-pyridoyl)-2-(3H)-furanone-d4
• Sinónimos: 3-(2,4,5,6-tetradeuteriopyridine-3-carbonyl)oxolan-2-one

Descrição

Applications Dihydro-3-(3-pyridoyl)-2-(3H)-furanone-d4 is an intermediate in the synthesis of 1-(3-Pyridyl-d4)-1,4-butanediol (P992504). 1-(3-Pyridyl-d4)-1,4-butanediol is the labeled analogue of 1-(3-Pyridyl)-1,4-butanediol (P992500), a metabloite of NNK (M325750), a carcinogen that readily produces cancer in rats and hamsters.
References Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997); Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000); Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005); Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006)

• Marca: TRC

Propriedades químicas

• Peso molecular: 195.208
• Fórmula: C₁₀D₄H₅NO₃
• Cor/forma: Neat
• InChI: InChI=1S/C10H9NO3/c12-9(7-2-1-4-11-6-7)8-3-5-14-10(8)13/h1-2,4,6,8H,3,5H2/i1D,2D,4D,6D
• Chave InChI: InChIKey=NVHJLYJXRFFCQV-QSHLYVKESA-N
• SMILES: [2H]c1nc([2H])c(C(=O)C2CCOC2=O)c([2H])c1[2H]