| Identification | Back Directory | [Name]
2-{[(4-chloro-2,6-difluorophenyl)methyl]amino}-7-oxo-5-propyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | [CAS]
1800024-45-6 | [Synonyms]
BCAT-IN-2
BCAT IN 2,BCATIN2
2-((4-Chloro-2,6-difluorobenzyl)amino)-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
2-{[(4-chloro-2,6-difluorophenyl)methyl]amino}-7-oxo-5-propyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2-[[(4-chloro-2,6-difluorophenyl)methyl]amino]-4,7-dihydro-7-oxo-5-propyl- | [Molecular Formula]
C17H14ClF2N5O | [MDL Number]
MFCD34474484 | [MOL File]
1800024-45-6.mol | [Molecular Weight]
377.78 |
| Chemical Properties | Back Directory | [Boiling point ]
545.0±60.0 °C(Predicted) | [density ]
1.48±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
-1.46±0.40(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
BCAT-IN-2 is a potent, selective and orally active inhibitor of mitochondrial branched-chain aminotransferase (BCATm), with a pIC50 of 7.3. BCAT-IN-2 shows selectivity for BCATm over BCATc (pIC50=6.6). BCAT-IN-2 can be used for the research of obesity and dislipidema[1]. | [in vivo]
BCAT-IN-2 (compound 61) (10-100 mg/kg; p.o.) increases the level of leucine from 473 μM to 1.2 mM at the dose of 100 mg/kg in mice[1].
BCAT-IN-2 (5 mg/kg for p.o. and 1 mg/kg for i.v.) exhibits a high bioavailability (F=100%), long half-life (t1/2=9.2 h) and low clearance (Cl=0.3 mL/min/kg) in mice[1]. | [References]
[1] Bertrand SM, et, al. The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem. 2015 Sep 24;58(18):7140-63. DOI:10.1021/acs.jmedchem.5b00313 |
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