Ethyl N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-amino-propanoate

CAS: 2089123-71-5

Ref. TR-E903735

Informação sobre produto

• Nome: Ethyl N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-amino-propanoate
• Sinónimos: ethyl 3-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]propanoate

Descrição

Applications Ethyl N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-amino-propanoate is used in the preparation of dibenzothiazepines as opioid receptor agonists; Also, it 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 (C424340), which is a metabolite of Tianeptine (T436800), a tricyclic compound with psychostimulant, anti-ulcer and anti-emetic properties. Antidepressant.
References Kruegel, A., et al.: PCT Int. Appl. (2017) WO 2017049158; 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)

• Marca: TRC

Propriedades químicas

• Peso molecular: 408.899
• Fórmula: C₁₉H₂₁ClN₂O₄S
• Cor/forma: Neat
• InChI: InChI=1S/C19H21ClN2O4S/c1-3-26-18(23)10-11-21-19-14-6-4-5-7-16(14)22(2)27(24,25)17-12-13(20)8-9-15(17)19/h4-9,12,19,21H,3,10-11H2,1-2H3
• Chave InChI: InChIKey=BWAHGXJNVZYCAP-UHFFFAOYSA-N
• SMILES: CCOC(=O)CCNC1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21