Ethyl β-Alanine-2,2,3,3-d4 Ester

CAS: 1364078-11-4

Ref. TR-E897447

Product Information

• Name: Ethyl β-Alanine-2,2,3,3-d4 Ester
• Synonyms: ethyl 3-amino-2,2,3,3-tetradeuteriopropanoate

Description

Applications Ethyl β-Alanine-2,2,3,3-d4 Ester is an intermediate used in the synthesis of N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-β-alanine-d4 (C424342), which is an isotope labelled N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-β-alanine is a metabolite of Tianeptine (T436800), a tricyclic compound with psychostimulant, anti-ulcer and anti-emetic properties. Antidepressant.
References Malen, C., et al.: Experientia, 28, 811 (1972), Safa, A., et al.: J. Biol. Chem., 262, 7884 (1987), Ford, J.M., et al.: Pharmacol. Rev., 42, 155, (1990), Pierre, A., et a.: Cancer Res., 51, 2312 (1991), Nair, M. et al.: Analyst, 123, 2267 (1998)

• Brand: TRC

Chemical properties

• Molecular weight: 121.171
• Formula: C₅D₄H₇NO₂
• Color/Form: Neat
• InChI: InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3/i3D2,4D2
• InChI key: InChIKey=GSQBIOQCECCMOQ-KHORGVISSA-N
• SMILES: [2H]C([2H])(N)C([2H])([2H])C(=O)OCC