| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
GSKJ1 (GSK-J1; GSK-J 1; GSK-J-1) is a novel, highly selective and potent inhibitor of histone demethylase (H3K27me3/me2-demethylases JMJD3/KDM6B and UTX/KDM6A) with potential antineoplastic activity. It that has significant activity (IC50 60 nM for human JmjD3) in vitro and in cell assays using an ester prodrug derivative (GSK-J4: 1 µM < IC50 < 10 µM; e.g. 9 µM in primary human macrophages). The methyl groups from tri- and dimethylated lysine 4 of histone H3 are removed by the KDM5/JARID1 family of Fe(II)- and α-ketoglutarate-dependent demethylases. KDM5A (JARID1A/RBP2) and KDM5B (JARID1B/PLU1) may play a role as oncogenic drivers, according to mounting evidence from primary tumors and model systems. As an ester derivative (GSK-J5) in cells and a control for target effects in vitro, the pyridine regioisomer GSK-J2 exhibits significantly less on-target activity (IC50 > 100 µM for human JmjD3). Recent data against H3K4me3/2/1 demethylases indicates that GSK-J1 also exhibits some activity (IC50 950 nM for Jarid1b, IC50 1.76 uM for Jarid1c).
| Targets |
JMJD3 ( IC50 = 60 nM )
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| ln Vitro |
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| ln Vivo |
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| Enzyme Assay |
Purified JmjD3 (1 μM) and UTX (3 μM) are incubated with a 10 μM peptide [Biotin-KAPRKQLATKAARK(me3)SAPATGG]. in 50 mM HEPES pH 7.5, 150 mM KCl, 50μM (NH4)2SO4·FeSO4·H2O, 1 mM 2-oxoglutarate, and 2 mM ascorbate (JmjD3, 3 minutes at 25°C; UTX, 20 minutes at 25°C) had different inhibitor concentrations (0, 0.005, 0.01, 0.02, 0.05, 0.1 μM). To halt the reaction, add 10 mM EDTA. Utilizing a zip tip to desalt the reaction, the reaction is then spotted using an α-cyano-4-hydroxycinnamic acid MALDI matrix on a MALDI plate. Via the MALDI-TOF R system, samples are analyzed.
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| Animal Protocol |
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| References | |||
| Additional Infomation |
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid is an organonitrogen heterocyclic compound.
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| Molecular Formula |
C22H23N5O2
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| Molecular Weight |
389.45
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| Exact Mass |
389.185
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| Elemental Analysis |
C, 67.85; H, 5.95; N, 17.98; O, 8.22
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| CAS # |
1373422-53-7
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| Related CAS # |
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| PubChem CID |
56963315
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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 |
608.9±55.0 °C at 760 mmHg
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| Flash Point |
322.0±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.653
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| LogP |
2.75
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
29
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| Complexity |
517
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])([H])C([H])([H])N([H])C1=C([H])C(=NC(C2=C([H])C([H])=C([H])C([H])=N2)=N1)N1C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H])=O
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| InChi Key |
AVZCPICCWKMZDT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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| Chemical Name |
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
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| Synonyms |
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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: ≥ 2.5 mg/mL (6.42 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 25.0 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: ≥ 2.5 mg/mL (6.42 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), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5677 mL | 12.8386 mL | 25.6772 mL | |
| 5 mM | 0.5135 mL | 2.5677 mL | 5.1354 mL | |
| 10 mM | 0.2568 mL | 1.2839 mL | 2.5677 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.
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