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Chemical structure of Tirabrutinib

GC33821

Tirabrutinib

Also listed as Tirabrutinib (ONO-4059)

Tirabrutinib (ONO-4059) (ONO-4059) is an orally active Bruton's Tyrosine Kinase (BTK) inhibitor (can cross the blood-brain barrier (BBB)), with an IC50 of 6·8 nM

ChemicalCAS1351636-18-4MW454.48FormulaC25H22N6O3
CAS number
1351636-18-4
Molecular weight
454.48
Formula
C25H22N6O3
Solubility
DMSO ： ≥ 100 mg/mL (220·03 mM)
InChIKey
SEJLPXCPMNSRAM-GOSISDBHSA-N
Catalogue number
GC33821
Brand
GLPBIO
Computed properties PubChem CID 54755438 · XLogP 3 · TPSA 105 Ų · H-bond donors 1
XLogP
3
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34

SMILES CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed descriptors from PubChem (CID 54755438), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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