Ibrutinib (PCI-32765) , ≥98% , 936563-96-1

CAS NO.：936563-96-1

Empirical Formula: C25H24N6O2

Molecular Weight: 440.5

MDL number: MFCD20261150

EINECS: 805-642-2

PRODUCT Properties

• Melting point: 153-158°C
• Boiling point: 715.0±60.0 °C(Predicted)
• Density: 1.34
• storage temp.: -20°C
• solubility: Soluble in DMSO ( up to at least 25 mg/ml)
• form: solid
• pka: 4.09±0.30(Predicted)
• color: White or off-white
• Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
• InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N
• SMILES: C(N1CCC[C@@H](N2C3C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)=C(N)N=CN=3)C1)(=O)C=C
• CAS DataBase Reference: 936563-96-1

Description and Uses

Ibrutinib (CAS: 936563-96-1) is a first-in-class,potent, orally administered covalently-binding inhibitor of BTK. In November 2013, the US FDA approved ibrutinib (also referred to as PCI-32765), for the treatment of patients with mantle cell lymphoma (MCL) who had received at least one prior therapy. Ibrutinib is a potent inhibitor of BTK that binds covalently to Cys-481 in the active site of BTK, resulting in inhibition of kinase activity. Ibrutinib does have significant activity against 19 other kinases, including seven with a cognate cysteine residue. These include BLK, BMX, ITK, TEC, EGFR, ERBB2, and JAK3.

Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.

Safety

• Symbol(GHS): GHS07,GHS06
• Signal word: Danger
• Hazard statements: H360-H319-H315-H335-H302
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
• Hazardous Substances Data: 936563-96-1(Hazardous Substances Data)