N-Boc-Ibrutinib ( tert-Butyl-1-carboxyl Piperidine analog of Ibrutinib)

CAS: 1022150-11-3

Ref. TR-B656715

Product Information

• Name: N-Boc-Ibrutinib ( tert-Butyl-1-carboxyl Piperidine analog of Ibrutinib)
• Synonyms: 1-Piperidinecarboxylic acid, 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, 1,1-dimethylethyl ester, (3R)- (ACI), 1,1-Dimethylethyl (3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (ACI), (R)-3-[4-Amino-3-(4-phenoxy-phenyl)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester, (R)-tert-Butyl 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate, (R)-tert-Butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

Description

Applications N-Boc-Ibrutinib is an impurity of Ibrutinib (I124970), which is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)

• Brand: TRC

Chemical properties

• Molecular weight: 486.57
• Formula: C₂₇H₃₀N₆O₃
• Color/Form: White To Off-White
• InChI: InChI=1S/C27H30N6O3/c1-27(2,3)36-26(34)32-15-7-8-19(16-32)33-25-22(24(28)29-17-30-25)23(31-33)18-11-13-21(14-12-18)35-20-9-5-4-6-10-20/h4-6,9-14,17,19H,7-8,15-16H2,1-3H3,(H2,28,29,30)/t19-/m1/s1
• InChI key: InChIKey=NTSAEGNFPKKRLX-LJQANCHMSA-N
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1