Dihydrodiol Ibrutinib , 0.95 , 1654820-87-7

CAS NO.：1654820-87-7

Empirical Formula: C25H26N6O4

Molecular Weight: 474.51

MDL number: MFCD32067648

PRODUCT Properties

• Melting point: >93°C (dec.)
• Boiling point: 790.3±60.0 °C(Predicted)
• Density: 1.46±0.1 g/cm3(Predicted)
• storage temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 13.13±0.20(Predicted)
• color: White to Off-White
• Stability: Hygroscopic
• InChIKey: NWKPMPRXJGMTKQ-DIAVIDTQSA-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(O)CO

Description and Uses

Dihydrodiol Ibrutinib is a metabolite of Ibrutinib (I124970). Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning