A191305
N6-Acryloyl Ibrutinib
| Trivial name | N6-Acryloyl Ibrutinib |
| Catalog Number | TRC-A191305-100MG |
| Alternative Name(s) | 1-[(3R)-3-[4-(Acyloyl)amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one; 1-[(3R)-3-[4-(1-Oxo-2-propen-1-yl)amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one; |
| Molecular Formula | C₂₈H₂₆N₆O₃ |
| CAS# | 2031255-27-1 |
| Inchi | InChI=1S/C28H26N6O3/c1-3-23(35)31-27-25-26(19-12-14-22(15-13-19)37-21-10-6-5-7-11-21)32-34(28(25)30-18-29-27)20-9-8-16-33(17-20)24(36)4-2/h3-7,10-15,18,20H,1-2,8-9,16-17H2,(H,29,30,31,35)/t20-/m1/s1 |
| SMILES | O=C(C=C)N1C[C@@H](CCC1)N2C3=NC=NC(NC(C=C)=O)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2 |
| Beilstein Registry Number | NA |
| Size | 100mg |
| Supplier Page | https://www.lgcstandards.com/CA/en/p/TRC-A191305-100MG |