| Identification | Back Directory | [Name]
2-BENZYL-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE | [CAS]
41933-33-9 | [Synonyms]
EcDsbB-IN-9
OTAVA-BB BB0128630032
2-BENZYL-4,5-DICHLOROPYRIDAZIN-3(2H)-ONE
2-BENZYL-4,5-DICHLOROPYRIDAZINE-3(2H)-ONE
2-benzyl-4,5-dichloro-2,3-dihydropyridazinone
4,5-dichloro-2-(phenylmethyl)-3(2H)-Pyridazinone
2-BENZYL-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE
2-BENZYL-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE ISO 9001：2015 REACH | [Molecular Formula]
C11H8Cl2N2O | [MDL Number]
MFCD00067773 | [MOL File]
41933-33-9.mol | [Molecular Weight]
255.1 |
| Chemical Properties | Back Directory | [Melting point ]
86 °C(Solv: hexane (110-54-3)) | [Boiling point ]
338.0±52.0 °C(Predicted) | [density ]
1.38±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
Solid | [pka]
-3.51±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
EcDsbB-IN-9 (Compound 9) is a potent E. coli DsbB (EcDsbB) inhibitor with an IC50 of 1.7 μM and a Ki of 46 nM[1]. | [Synthesis]
To a round bottom flask was added 4,5-dichloropyridazin-3(2H)-one (50 g, 303.03 mmol), N,N-dimethylformamide (DMF, 150 mL), potassium carbonate (K2CO3, 46 g, 333.33 mmol) and benzyl bromide (51.83 g, 303.03 mmol). The reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, the reaction mixture was slowly poured into water (500 mL) and a solid precipitate was precipitated. The suspension was continued to be stirred at room temperature for 1 hour. Subsequently, the solid product was separated by filtration and dried under vacuum to afford 2-benzyl-4,5-dichloropyridazin-3(2H)-one as a tan solid (74 g, 97% yield). The product was analyzed by high performance liquid chromatography (HPLC, Method A) with a retention time of 2.788 min; liquid chromatography-mass spectrometry (LCMS) showed a molecular ion peak (M+1) of 255.1. | [References]
[1] Landeta C, et al. Compounds targeting disulfide bond forming enzyme DsbB of Gram-negative bacteria. Nat Chem Biol. 2015 Apr;11(4):292-8. DOI:10.1038/nchembio.1752 |
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| Company Name: |
Tetranov Biopharm
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13526569071 |
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http://www.leadmedpharm.com/index.html |
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