ChemicalBook--->CAS DataBase List--->1231930-57-6

1231930-57-6

1231930-57-6 Structure

1231930-57-6 Structure
IdentificationBack Directory
[Name]

Abemaciclib Metabolites M2
[CAS]

1231930-57-6
[Synonyms]

Abemaciclib metabolite M2
Abemaciclib M2 Metabolite
Abemaciclib Metabolites M2
2H8]-Abemaciclib metabolite M2
5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)-N-[5-(1-piperazinylmethyl)-2-pyridyl]pyrimidin-2-amine
2-Pyrimidinamine, 5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-N-[5-(1-piperazinylmethyl)-2-pyridinyl]-
[Molecular Formula]

C25H28F2N8
[MOL File]

1231930-57-6.mol
[Molecular Weight]

478.54
Chemical PropertiesBack Directory
[Boiling point ]

690.9±65.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

9.01±0.10(Predicted)
[color ]

Light yellow to yellow
[InChIKey]

IXGZDCRFGCEEBU-UHFFFAOYSA-N
[SMILES]

C1(NC2=NC=C(CN3CCNCC3)C=C2)=NC=C(F)C(C2C=C3N(C(C)C)C(C)=NC3=C(F)C=2)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard InformationBack Directory
[Uses]

Des-Et-Abemaciclib is an impurity of Abemaciclib (A115153) is a potent and selective inhibitor of cyclin-dependent kinases, CDK4 and CDK6, as a method to inhibit the proliferation of cancer cells.
[in vivo]

Abemaciclib metabolite M2 (LSN2839567) is bound to plasma proteins in rat, dog and human (83-92%), lower than Abemaciclib (95-99%)[2].
? Abemaciclib metabolite M2 is the most prominent (active and major) plasma metabolites in human[2].

[IC 50]

CDK4: 1.2 nM (IC50); CDK6: 1.3 nM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Abemaciclib Metabolites M2(1231930-57-6)1HNMR
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