| Identification | Back Directory | [Name]
DprE1-IN-2 | [CAS]
1615713-87-5 | [Synonyms]
CS-2339
DprE1-IN-2
DprE1-IN-25
DprE1 inhibitor 2
DPRE1 INHIBITOR 2;DPRE1 IN 2
1H-Pyrrolo[3,2-b]pyridine-3-carboxamide, 1-[[6-(dimethylamino)-5-methyl-4-pyrimidinyl]methyl]-N-(2-hydroxyethyl)-6-methyl- | [Molecular Formula]
C19H24N6O2 | [MDL Number]
MFCD30489742 | [MOL File]
1615713-87-5.mol | [Molecular Weight]
368.43 |
| Chemical Properties | Back Directory | [Boiling point ]
701.4±60.0 °C(Predicted) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 2mg/mL; DMSO: 2mg/mL; DMSO:PBS (pH 7.2) (1:4): 0.2mg/mL | [form ]
A crystalline solid | [pka]
12.81±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
DprE1-IN-2 (compound 18) is a potent DprE1 inhibitor with an IC50 of 28 nM. DprE1-IN-2 has antituberculosis effect[1]. | [in vivo]
DprE1-IN-2 (compound 18; oral; 100 mg/kg) has t1/2 of 0.9 hours and Cmax of 70 μM in BALB/c Mice[1]. | Animal Model: | BALB/c Mice[1] | | Dosage: | 100 mg/kg | | Administration: | Oral | | Result: | Had t1/2 of 0.9 hours and Cmax of 70 μM.
|
| [storage]
Store at -20°C | [References]
[1] Shirude PS et al. Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem. 2014 Jul 10;57(13):5728-37. DOI:10.1021/jm500571f |
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Cckinase, Inc.
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