| Identification | Back Directory | [Name]
Tofacitinib Impurity 77 | [CAS]
1640971-51-2 | [Synonyms]
Tofatinib impurity
Tofacitinib metabolite-1
1-Piperidinepropanenitrile, 3-[(6,7-dihydro-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-4-yl)methylamino]-4-methyl-β-oxo-, (3R,4R)-
3-((3R,4R)-4-methyl-3-(methyl(6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d] pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | [Molecular Formula]
C16H20N6O2 | [MDL Number]
MFCD32693921 | [MOL File]
1640971-51-2.mol | [Molecular Weight]
328.38 |
| Chemical Properties | Back Directory | [Boiling point ]
640.4±55.0 °C(Predicted) | [density ]
1.312±0.06 g/cm3(Predicted) | [storage temp. ]
4°C, protect from light | [form ]
Solid | [pka]
6.05±0.60(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
Tofacitinib metabolite-1 is a metabolite of Tofacitinib, a JAK inhibitor. Tofacitinib metabolite-1 can be used in the pharmacokinetics and metabolism studies of tofacitinib[1][2]. | [References]
[1] Martin E Dowty, et al. The Pharmacokinetics, Metabolism, and Clearance Mechanisms of Tofacitinib, a Janus Kinase Inhibitor, in Humans. Drug Metab Dispos. 2014 Apr;42(4):759-73. DOI:10.1124/dmd.113.054940
[2] Matthias Gehringer, et al. Novel Hinge-Binding Motifs for Janus Kinase 3 Inhibitors: A Comprehensive Structure-Activity Relationship Study on Tofacitinib Bioisosteres. ChemMedChem. 2014 Nov;9(11):2516-27. DOI:10.1002/cmdc.201402252 |
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