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Chemical structure of Ibrutinib deacryloylpiperidine

GC60197

Ibrutinib deacryloylpiperidine

Also known as 3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Ibrutinib deacryloylpiperidine (IBT4A) is an impurity of Ibrutinib· Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0·5 nM

ChemicalCAS330786-24-8MW303.32FormulaC17H13N5O
CAS number
330786-24-8
Molecular weight
303.32
Formula
C17H13N5O
InChIKey
YYVUOZULIDAKRN-UHFFFAOYSA-N
Catalogue number
GC60197
Brand
GLPBIO
Computed properties PubChem CID 22346757 · XLogP 3 · TPSA 89.7 Ų · H-bond donors 2
XLogP
3
TPSA
89.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N

Computed descriptors from PubChem (CID 22346757), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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