N1,N6 [ 1,3-(1-Oxopropylene)] Ibrutinib

CAS: 1917333-91-5

Ref. TR-O858985

Informação sobre produto

• Nome: N1,N6 [ 1,3-(1-Oxopropylene)] Ibrutinib
• Sinónimos: 3,4-Dihydro-8-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-10-(4-phenoxyphenyl)pyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one
• Marca: TRC

Descrição

Applications N1,N6 [ 1,3-(1-Oxopropylene)] Ibrutinib is an impurity of Ibrutinib (I124970), a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)

Propriedades químicas

• Peso molecular: 494.54
• Fórmula: C₂₈H₂₆N₆O₃
• Cor/forma: Neat
• InChI: InChI=1S/C28H26N6O3/c1-2-24(36)32-15-6-7-20(17-32)34-27-25(28-30-23(35)14-16-33(28)18-29-27)26(31-34)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h2-5,8-13,18,20H,1,6-7,14-17H2/t20-/m1/s1
• Chave InChI: InChIKey=FSCNEJORXHNHBP-HXUWFJFHSA-N
• SMILES: C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c2N=CN2CCC(=O)N=C32)C1