3-(Acetylamino)-2-[[[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]amino]carbonyl]benzoic Acid (Apremilast Benzoic Acid)

CAS: 2096492-41-8

Ref. TR-A729715

Información del producto

• Nombre: 3-(Acetylamino)-2-[[[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]amino]carbonyl]benzoic Acid (Apremilast Benzoic Acid)
• Sinónimos: Apremilast Hydrolysis Impurity-2
• CAS: 2096492-41-8

Descripción

Applications (αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-N-[(1S)-1-phenylethyl]-benzenemethanamine is an impurity of Apremilast (A729700), which is an oral phosphodiesterase 4 inhibitor used for treating psoriatic arthritis.
References Gan, E. et al.: BioDrugs, 27, 359 (2013); Pathan, E. et al.: Annal. Rheum. DIs., 72, 1475 (2013)

• Marca: TRC

Propiedades químicas

• Peso molecular: 478.52
• Fórmula: C₂₂H₂₆N₂O₈S
• Color/Forma: Neat
• InChI: InChI=1S/C22H26N2O8S/c1-5-32-19-11-14(9-10-18(19)31-3)17(12-33(4,29)30)24-21(26)20-15(22(27)28)7-6-8-16(20)23-13(2)25/h6-11,17H,5,12H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t17-/m1/s1
• Clave InChI: InChIKey=KHUBRTTVUSOROB-QGZVFWFLSA-N
• SMILES: CCOc1cc([C@@H](CS(C)(=O)=O)NC(=O)c2c(NC(C)=O)cccc2C(=O)O)ccc1OC