| Identification | Back Directory | [Name]
1,6-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | [CAS]
32502-63-9 | [Synonyms]
3-Phenyltoxoflavine
3-Phenyl-toxoflavin
1,6-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-3-phenyl- | [Molecular Formula]
C13H11N5O2 | [MDL Number]
MFCD00415675 | [MOL File]
32502-63-9.mol | [Molecular Weight]
269.26 |
| Chemical Properties | Back Directory | [Melting point ]
228 °C (decomp) | [Boiling point ]
381.1±25.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 7.14 mg/mL (26.52 mM) | [form ]
Solid | [pka]
-2.93±0.20(Predicted) | [color ]
Light yellow to orange |
| Hazard Information | Back Directory | [Uses]
3-Phenyltoxoflavin, a derivative of Toxoflavin, is an Hsp90 inhibitor, with a Kd of 585 nM for the interaction of Hsp90-TPR2A. 3-Phenyltoxoflavin has anti-cancer activity[1][2]. | [IC 50]
HSP90: 585 nM (Kd) | [References]
[1] Yi F, et, al. A novel class of small molecule inhibitors of Hsp90. ACS Chem Biol. 2008 Oct 17;3(10):645-54. DOI:10.1021/cb800162x
[2] Koh S, et, al. A novel light-dependent selection marker system in plants. Plant Biotechnol J. 2011 Apr;9(3):348-58. DOI:10.1111/j.1467-7652.2010.00557.x |
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