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Chemical structure of Ibrutinib-biotin

GC36289

Ibrutinib-biotin

Also known as 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

Ibrutinib-biotin is a probe that consists of Ibrutinib linked to biotin via a long chain linker, extracted from patent WO2014059368A1 Compound 1-5, has an IC50 of 0·755-1·02 nM for BTK

ChemicalCAS1599432-18-4MW1097.37FormulaC56H80N12O9S
CAS number
1599432-18-4
Molecular weight
1097.37
Formula
C56H80N12O9S
Solubility
DMSO： 50 mg/mL (45·56 mM)
InChIKey
MZBZKVGVMZPBPH-AQXPWDSUSA-N
Catalogue number
GC36289
Brand
GLPBIO
Computed properties PubChem CID 73507493 · XLogP 3 · TPSA 284 Ų · H-bond donors 6
XLogP
3
TPSA
284 Ų
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
35
Heavy atoms
78

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 descriptors from PubChem (CID 73507493), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.