ChemicalBook > CAS DataBase List > GSK864

GSK864

Product Name: GSK864
CAS No.: 1816331-66-4
Chemical Name: GSK864
Synonyms: GSK864;GSK864,GSK-864;GSK864 >=98% (HPLC);(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;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)-
CBNumber: CB63171695
Molecular Formula: C30H31FN6O4
Formula Weight: 558.6
MOL File: 1816331-66-4.mol

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GSK864 Property

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

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SML1757
Product name: GSK864
Purity: ≥98% (HPLC)
Packaging: 5MG
Price: $343
Updated: 2025/07/31

Sigma-Aldrich

Product number: SML1757
Product name: GSK864
Purity: ≥98% (HPLC)
Packaging: 25MG
Price: $1210
Updated: 2023/06/20

Cayman Chemical

Product number: 18762
Product name: GSK864
Purity: ≥98%
Packaging: 500μg
Price: $37
Updated: 2024/03/01

Cayman Chemical

Product number: 18762
Product name: GSK864
Purity: ≥98%
Packaging: 1mg
Price: $65
Updated: 2024/03/01

Cayman Chemical

Product number: 18762
Product name: GSK864
Purity: ≥98%
Packaging: 5mg
Price: $266
Updated: 2024/03/01

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GSK864 Chemical Properties,Usage,Production

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

GSK864 Preparation Products And Raw materials

Raw materials

Preparation Products

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1816331-66-4, GSK864Related Search:

GSK2837808A GSK6853 GSK-A1 S)-1-(sec-butyl)-N-((4,6-diMethyl-2-oxo-1,2-dihydropyridin-3-yl)Methyl)-3-Methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxaMide GSK484 GSK J4 HCl GSK 2334470 GSK2982772 GSK2636771 Benzeneacetamide, α-[[6-(4-amino-1-piperidinyl)-3,5-dicyano-4-ethyl-2-pyridinyl]thio]- GSK778 N-(6-Fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxamide GSK 2033 2-((4-(benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl dihydrogen phosphate N-((S)-1-(4-((S)-2-(2,4-dichlorophenylsulfonaMido)-3-hydroxypropanoyl)piperazin-1-yl)-4-Methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxaMide GSK-2256098 GSK215

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

1816331-66-4

C30H31FN6O4