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Chemical structure of Btk inhibitor 1 R enantiomer

GC10924

Btk inhibitor 1 R enantiomer

Also known as 3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Btk inhibitor 1 R enantiomer is an impurity of Ibrutinib· Btk inhibitor 1 R enantiomer can be used in synthesis of Btk inhibitor 1 R enantiomer Ibrutinib dimer and Btk inhibitor 1 R enantiomer adduct· Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0·5 nM

ChemicalCAS1022150-12-4MW386.45FormulaC22H22N6O
CAS number
1022150-12-4
Molecular weight
386.45
Formula
C22H22N6O
Solubility
Soluble in DMSO
InChIKey
GPSQYTDPBDNDGI-MRXNPFEDSA-N
Catalogue number
GC10924
Brand
GLPBIO
Computed properties PubChem CID 58223272 · XLogP 3.1 · TPSA 90.9 Ų · H-bond donors 2
XLogP
3.1
TPSA
90.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES C1C[C@H](CNC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed descriptors from PubChem (CID 58223272), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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