Products 1599432-18-4
CAS 1599432-18-4 appears in our catalog under these names: Ibrutinib-biotin, 95%, Ibrutinib-biotin-1, Ibrutinib-biotin, 99.93%, 99.93%, Ibrutinib-biotin, 99.66%. Offered by: Combi-blocks, Biosynth, Chemat, MedChemExpress. Available pack sizes: 50mg, 1mg, 2mg, 5mg, 10mg, 25mg, 25 mg, 10mM/1mL.
N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide (CAS 1599432-18-4) is a chemical compound with the molecular formula C56H80N12O9S and a molecular weight of 1097.4 g/mol. IUPAC name: N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide. InChIKey: MZBZKVGVMZPBPH-AQXPWDSUSA-N.
| Molecular formula | C56H80N12O9S |
|---|---|
| Molecular weight | 1097.4 g/mol |
| IUPAC name | N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide |
| InChIKey | MZBZKVGVMZPBPH-AQXPWDSUSA-N |
| SMILES | CN(CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C/C=C/C(=O)N3CCC[C@H](C3)N4C5=NC=NC(=C5C(=N4)C6=CC=C(C=C6)OC7=CC=CC=C7)N |
Computed by PubChem (NCBI)
Synonyms:
Ibrutinib-biotin, Ibrutinib-biotin-1