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1952316-43-6

1952316-43-6 Structure

1952316-43-6 Structure
IdentificationBack Directory
[Name]

R-Acalabrutinib
[CAS]

1952316-43-6
[Synonyms]

R-Acalabrutinib
Acalabrutinib enantiomer
Acalabrutinib Impurity N1
Acalabrutinib enantiomer, 10 mM in DMSO
(R)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
Benzamide, 4-[8-amino-3-[(2R)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-
[Molecular Formula]

C26H23N7O2
[MDL Number]

MFCD30530419
[MOL File]

1952316-43-6.mol
[Molecular Weight]

465.51
Chemical PropertiesBack Directory
[density ]

1.37±0.1 g/cm3(Predicted)
[pka]

11.47±0.70(Predicted)
[InChIKey]

WDENQIQQYWYTPO-LJQANCHMSA-N
[SMILES]

C(NC1=NC=CC=C1)(=O)C1=CC=C(C2=C3N(C([C@H]4CCCN4C(=O)C#CC)=N2)C=CN=C3N)C=C1
Hazard InformationBack Directory
[Uses]

(R)-Acalabrutinib ((R)-ACP-196) is the enantiomer of Acalabrutinib (HY-17600). (R)-Acalabrutinib is an inhibitor for Bruton’s tyrosine kinase (BTK)[1].
[References]

[1] Rayala VVSPK, et al., A validated chiral chromatographic method for the enantiomeric separation of acalabrutinib. Chirality. 2022 Sep;34(9):1247-1256. DOI:10.1002/chir.23485
Spectrum DetailBack Directory
[Spectrum Detail]

R-Acalabrutinib(1952316-43-6)1HNMR
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