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Purity: ≥98%
GSK126 (GSK-2816126; GSK-2816126A) is a selective and SAM (S-adenosyl-methionine)-competitive inhibitor of EZH2 (Enhancer of zeste homolog 2) methyltransferase with anticancer activity. It inhibits EZH2 with an IC50 of 9.9 nM, and shows >1000-fold selective for EZH2 over other human methyltransferases. It exhibits high antiproliferative activity and in vivo antitumor efficacy.
| ln Vitro |
Regardless of the substrate employed, GSK126 selectively inhibits the activity of both wild-type and mutant EZH2 methyltransferase with a similar degree of efficacy (Ki=0.5-3 nM). It is competitive with S-adenosylmethionine (SAM) but not with peptide substrates. GSK126 has remarkable selectivity towards many other protein classes and other methyltransferases (EZH1, IC50=680 nM) [1]. Three SCLC cell lines were treated with GSK126 to cause growth inhibition. Lu130, H209, and DMS53 SCLC cell lines were treated with 0.5, 2, and 8 μM GSK126, and the WST-8 test was used to examine the growth curves. GSK126 treatment at 8 μM decreased cell proliferation in all three cell lines, but Lu130 and H209 were more susceptible to GSK126, even at lower dosages [2].
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| ln Vivo |
In female beige SCID mice, GSK126 is given intraperitoneally at a dosage amount of 0.2 mL per 20 g body weight. GSK126 significantly and efficiently suppresses the growth of EZH2 mutant DLBCL xenografts in mice as well as the proliferation of EZH2 mutant DLBCL cell lines[1].
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| Additional Infomation |
GSK126 is a member of the class of methylindoles that is 1H-indole substituted by (2S)-butan-2-yl, methyl, N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]acetamide, and 6-(piperazin-1-yl)pyridin-3-yl groups at positions 1, 3, 4, and 6, respectively. It is a potent and highly selective inhibitor of EZH2 methyltransferase (IC50 = 9.9 nM). It has a role as a neuroprotective agent, an antiatherosclerotic agent, an antineoplastic agent, an anti-obesity agent, an angiogenesis inhibitor and an EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor. It is a member of pyridines, a secondary carboxamide, a pyridone, a N-arylpiperazine and a methylindole.
EZH2 Inhibitor is any agent that inhibits the histone lysine methyltransferase EZH2. |
| Molecular Formula |
C31H38N6O2
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| Molecular Weight |
526.67
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| Exact Mass |
526.305
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| CAS # |
1346574-57-9
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| Related CAS # |
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| PubChem CID |
68210102
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| Appearance |
White to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
823.4±65.0 °C at 760 mmHg
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| Flash Point |
451.8±34.3 °C
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| Vapour Pressure |
0.0±3.0 mmHg at 25°C
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| Index of Refraction |
1.654
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| LogP |
3.14
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
39
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| Complexity |
972
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C
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| InChi Key |
FKSFKBQGSFSOSM-QFIPXVFZSA-N
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| InChi Code |
InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
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| Chemical Name |
(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
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| Synonyms |
GSK-2816126; GSK 2816126; GSK2816126; GSK126; GSK-126; GSK 126
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 1.25 mg/mL (2.37 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (2.37 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: ≥ 0.82 mg/mL (1.56 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 5: ≥ 0.82 mg/mL (1.56 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 6: 4% DMSO+corn oil:0.5mg/mL Solubility in Formulation 7: 10 mg/mL (18.99 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 8: 20 mg/mL (37.97 mM) in 20% SBE-β-CD adjusted to pH 4-4.5 with 1 N acetic (add these co-solvents sequentially from left to right, and one by one), clear solution; with heating and sonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8987 mL | 9.4936 mL | 18.9872 mL | |
| 5 mM | 0.3797 mL | 1.8987 mL | 3.7974 mL | |
| 10 mM | 0.1899 mL | 0.9494 mL | 1.8987 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02082977 | Terminated Has Results | Drug: GSK2816126 | Cancer Neoplasms |
GlaxoSmithKline | April 24, 2014 | Phase 1 |
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