CAS 1022899-36-0 appears in our catalog under these names: PCI–33380, PCI-33380, PCI-33380, 98.0%, PCI-33380 (Standard). Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 10mg, 10mM (in 1ml dmso), 25mg, 5mg, 50mg, 10mM/1mL, 50 mg, 25 mg.
N-[2-[4-[(E)-4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]piperazin-1-yl]ethyl]-3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanamide (CAS 1022899-36-0) is a chemical compound with the molecular formula C46H52BF2N11O3 and a molecular weight of 855.8 g/mol. IUPAC name: N-[2-[4-[(E)-4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]piperazin-1-yl]ethyl]-3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanamide. InChIKey: YUGFMNZIROEBNV-YRNVUSSQSA-N.
| Molecular formula | C46H52BF2N11O3 |
|---|---|
| Molecular weight | 855.8 g/mol |
| IUPAC name | N-[2-[4-[(E)-4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]piperazin-1-yl]ethyl]-3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanamide |
| InChIKey | YUGFMNZIROEBNV-YRNVUSSQSA-N |
| SMILES | [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCN4CCN(CC4)C/C=C/C(=O)N5CCCC(C5)N6C7=NC=NC(=C7C(=N6)C8=CC=C(C=C8)OC9=CC=CC=C9)N)C)C)(F)F |
Computed by PubChem (NCBI)