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Chemical structure of PCI 45227

GC48493

PCI 45227

Also known as 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one

PCI 45227 (PCI-45227) is a dihydrodiolactive metabolite of Ibrutinib, has inhibitory activity towards BTK approximately 15 times lower than that of ibrutinib

ChemicalCAS1654820-87-7MW474.5FormulaC25H26N6O4
CAS number
1654820-87-7
Molecular weight
474.5
Formula
C25H26N6O4
Solubility
Methanol: soluble
InChIKey
NWKPMPRXJGMTKQ-DIAVIDTQSA-N
Catalogue number
GC48493
Brand
GLPBIO
Computed properties PubChem CID 91971609 · XLogP 1.7 · TPSA 140 Ų · H-bond donors 3
XLogP
1.7
TPSA
140 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

SMILES C1C[C@H](CN(C1)C(=O)C(CO)O)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed descriptors from PubChem (CID 91971609), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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