ChemicalBook--->CAS DataBase List--->936563-97-2

936563-97-2

936563-97-2 Structure

936563-97-2 Structure
IdentificationBack Directory
[Name]

(S)-Ibrutinib
[CAS]

936563-97-2
[Synonyms]

(S)-Ibutinib
(S)-Ibrutinib
(S)-Ibrutinib-d5
Ibrutinib (S)-Isomer
Ibrutinib iMpurity SYG
(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)
1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
2-Propen-1-one, 1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one? (Ibrutinib Impurity)
Ibrutinib impurity 2/(S)-Ibrutinib/(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
[Molecular Formula]

C25H24N6O2
[MDL Number]

MFCD28385226
[MOL File]

936563-97-2.mol
[Molecular Weight]

440.5
Chemical PropertiesBack Directory
[Melting point ]

88-95°C
[Boiling point ]

715.0±60.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

4.09±0.30(Predicted)
[color ]

Pale Yellow
[Stability:]

Light Sensitive
Hazard InformationBack Directory
[Uses]

(S)-Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
[Uses]

(S)-Ibrutinib-d5 is the labeled analogue of (S)-Ibrutinib (I124975). (S)-Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-Ibrutinib(936563-97-2)1HNMR
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