Ibrutinib-biotin-1

cas: 1599432-18-4 — see every product listed under this CAS number, including other names

Ibrutinib-biotin-1 (CAS 1599432-18-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberZNC43218-1mg
cas1599432-18-4
size1mg
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properties

categoryResearch Chemicals
sub-category 1Sourcing
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC56H80N12O9S
Molecular weight1097.4 g/mol
IUPAC nameN'-[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
InChIKeyMZBZKVGVMZPBPH-AQXPWDSUSA-N
SMILESCN(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)

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