GSK864
GSK864 Basic information
- Product Name:
- GSK864
- Synonyms:
-
- GSK864
- 1H-Pyrazolo[4,3-c]pyridine-3,7-dicarboxamide, 1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-, (7S)-
- GSK864 >=98% (HPLC)
- GSK864,GSK-864
- (7S)-1-[(4-fluorophenyl)methyl]-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
- CAS:
- 1816331-66-4
- MF:
- C30H31FN6O4
- MW:
- 558.6
- Mol File:
- 1816331-66-4.mol
GSK864 Chemical Properties
- Boiling point:
- 782.9±60.0 °C(Predicted)
- Density
- 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- DMF:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
DMSO:60.0(Max Conc. mg/mL);107.41(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);0.9(Max Conc. mM) - pka
- 11.73±0.70(Predicted)
- form
- powder
- color
- white to beige
- optical activity
- [α]/D -66 to -76°, c = 0.5 in methanol
- InChIKey
- DUCNNEYLFOQFSW-PMERELPUSA-N
- SMILES
- C1N(C(C2=CC=CN2)=O)C[C@](C)(C(N)=O)C2N(CC3=CC=C(F)C=C3)N=C(C(NC3=CC(C)=C(OC)C(C)=C3)=O)C1=2
GSK864 Usage And Synthesis
Uses
GSK864 is an isocitrate dehydrogenase 1 (IDH1) mutant inhibitor; inhibits IDH1 mutants R132C, R132H, and R132G with IC50 values of 8.8, 15.2 and 16.6 nM.
Biochem/physiol Actions
GSK864 is a cell penetrant, potent and selective allosteric inhibitor of isocitrate dehydrogenase 1 (IDH1) that potently inhibits intracellular 2-hydroxyglutarate (2-HG) production in HT-1080 cells. It appears that GSK864 binds to an allosteric binding site and locks WT and mutant IDH1s in a catalytically inactive conformation. GSK864 is a highly bioavailable analog of GSK321. For full characterization details, please visit the GSK864 probe summary on the Structural Genomics Consortium (SGC) website.To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc
in vivo
Following intraperitoneal (IP) administration in CD-1 mice, significant concentrations of GSK864 are maintained in peripheral blood samples of mice for up to 24 hours. Analysis of BM cells for expression of markers of early differentiation reveals slightly increased numbers of huCD45+CD38+ cells in R132C or R132H IDH1 mutant engrafted mice treated with GSK864[1].
IC 50
IDH1
References
[1] Okoye-Okafor UC, et al. New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat Chem Biol. 2015 Nov;11(11):878-86. DOI:10.1038/nchembio.1930
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