Ibrutinib-d5

Ibrutinib-d5 is intended for use as an internal standard for the quantification of ibrutinib (Cay-16274) by GC- or LC-MS. Ibrutinib is an irreversible inhibitor of Bruton's tyrosine kinase (BTK, IC50 = 0.5 nM) that selectively blocks B cell activation, promoting apoptosis and preventing homing to the protective tumor microenvironment, at concentrations that do not affect T cell receptor signaling (1,000-fold more potent). It has been reported to inhibit autophosphorylation of BTK (IC50 = 11 nM), phosphorylation of PLCgamma (IC50 = 29 nM), a substrate of BTK, and phosphorylation of ERK (IC50 = 13 nM), a further downstream kinase. Formulations containing it have been examined clinically for the treatment of diseases associated with B cell antigen receptor signaling, including mantle cell lymphoma, chronic lymphocytic leukemia, and non-Hodgkin lymphoma.Formal Name: 1-[(3R)-3-[4-amino-3-[4-(phenoxy-2,3,4,5,6-d5)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one. CAS Number: 1553977-17-5. Molecular Formula: C25H19D5N6O2. Formula Weight: 445.5. Purity: >99% deuterated forms (d1-d5). Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 0.25 mg/ml. SMILES: O=C(C=C)N1C[C@H](N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=C([2H])C([2H])=C([2H])C([2H])=C5[2H])C=C4)=N2)CCC1. InChi Code: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1/i3D,4D,5D,8D,9D. InChi Key: XYFPWWZEPKGCCK-OZUAZJOXSA-N.