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Chemical structure of Poseltinib

GC60298

Poseltinib

Also known as N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

Poseltinib, an orally active, selective and irreversible Bruton’s tyrosine kinase (BTK) inhibitor (IC50 =1·95 nM), with 0·3, 2·3 and 2·4-fold selectivity for BTK over BMX, TEC and TXK, respectively

ChemicalCAS1353552-97-2MW470.52FormulaC26H26N6O3
CAS number
1353552-97-2
Molecular weight
470.52
Formula
C26H26N6O3
Solubility
DMSO ： 100 mg/mL (212·53 mM; Need ultrasonic)
InChIKey
LZMJNVRJMFMYQS-UHFFFAOYSA-N
Catalogue number
GC60298
Brand
GLPBIO
Computed properties PubChem CID 56644522 · XLogP 4.1 · TPSA 95.8 Ų · H-bond donors 2
XLogP
4.1
TPSA
95.8 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

SMILES CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4

Computed descriptors from PubChem (CID 56644522), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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