| Identification | Back Directory | [Name]
6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione | [CAS]
712346-06-0 | [Synonyms]
6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
1H-Indole-2,4-dione, 3-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-3,5,6,7-tetrahydro-6,6-dimethyl-1-phenyl-3-(trifluoromethyl)- | [Molecular Formula]
C27H24F3N3O3 | [MOL File]
712346-06-0.mol | [Molecular Weight]
495.49 |
| Chemical Properties | Back Directory | [Boiling point ]
596.8±60.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
-0.43±0.70(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
ELOVL6-IN-1 is a potent, orally active and selective ELOVL6 inhibitor. ELOVL6-IN-1 dose-dependently inhibits mouse ELOVL6 activities, with an IC50 value of 0.350 μM. ELOVL6-IN-1 inhibits ELOVL6 in a noncompetitive manner for malonyl-CoA (Ki=994 nM) and palmitoyl-CoA[1]. | [in vivo]
ELOVL6-IN-1 (10 mg/kg; p.o.; 0~2 hours) displays appreciable plasma and liver exposure[1].
ELOVL6-IN-1 (10 and 30 mg/kg; p.o.; 0~2 hours) reduces the elongation index of the liver lipids[1].
ELOVL6-IN-1 (100 mg/kg; p.o.; 2 days) reduces the elongation index of the total fatty acids of the liver[1]. | [References]
[1] Shimamura K, et al. 5,5-Dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione, a potent inhibitor for mammalian elongase of long-chain fatty acids family 6: examination of its potential utility as a pharmacological tool. J Pharmacol Exp Ther. 2009;330(1):249-256. DOI:10.1124/jpet.109.150854
[2] Takahashi T, Nagase T, Sasaki T, et al. Synthesis and evaluation of a novel indoledione class of long chain fatty acid elongase 6 (ELOVL6) inhibitors. J Med Chem. 2009;52(10):3142-3145. DOI:10.1021/jm900391x
[3] Zheng Junxia, Wu Zhiwei, Dai Mibei, Xu Zhihui, Li Xiaomei, Zhu Shanshan, Lin Chuyun, Hu Peijian, Zhang Luo, Huang Huarong, Zhao Suqing, Zhang Kun and Sun Pinghua, Quantitative Structure Activity Relationship Studies on a Novel Indolediones as Long Chain Fatty Acid Elongase 6 (ELOVL6) Inhibitors, Letters in Drug Design & Discovery 2011; 8(5) . |
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