| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
GNE-2861 targets group II PAKs (PAK4, PAK5, PAK6) with high selectivity. It inhibits PAK4 with a Kᵢ of 3 nM. PAK4 is the primary target (IC₅₀ = 7.5 nM), followed by PAK5 (IC₅₀ = 36 nM) and PAK6 (IC₅₀ = 126 nM). The compound is a selective LSD1 inhibitor according to some sources, blocking LSD1 demethylation activity.
|
|---|---|
| ln Vitro |
GNE 2861 is compound 4, as stated in reference [1].
In vitro, GNE-2861 (0.1-50 µM) inhibits cell migration and reduces cell viability of MDA-MB-436 and MCF-10A cells in a dose-dependent manner. It sensitizes drug-resistant MCF-7/LCC2 breast cancer cells to tamoxifen. The compound decreases tumor cell migration and invasion in triple-negative breast cancer cell lines and perturbs estrogen receptor alpha signaling. |
| ln Vivo |
In vivo, GNE-2861 has been studied for its anti-tumor activity. As a group II PAK inhibitor, it has potential therapeutic applications in cancer treatment, particularly in breast cancer.
|
| Enzyme Assay |
Kinase inhibition assays: PAK4, PAK5, and PAK6 kinase activities are measured using in vitro kinase assays with purified recombinant enzymes and peptide substrates in the presence of ATP. GNE-2861 is tested at various concentrations (typically 0.1-1000 nM). IC₅₀ values are calculated from dose-response curves. Selectivity is assessed by profiling against a panel of kinases.
|
| Cell Assay |
Breast cancer cell lines (e.g., MDA-MB-436, MCF-10A, MCF-7/LCC2) are cultured in appropriate media at 37°C with 5% CO₂. Cells are treated with GNE-2861 at concentrations ranging from 0.1-50 µM. Cell viability is assessed by MTT or CellTiter-Glo assays. Cell migration and invasion are evaluated using Transwell or scratch wound assays. Estrogen receptor alpha signaling is analyzed by Western blot.
|
| Animal Protocol |
In vivo efficacy studies are conducted in breast cancer xenograft models. GNE-2861 is administered orally or intraperitoneally at specified doses. Tumor growth is monitored over time. Combination studies with tamoxifen are performed to evaluate sensitization of drug-resistant tumors.
|
| ADME/Pharmacokinetics |
GNE-2861 has molecular weight 406.48 and formula C₂₂H₂₆N₆O₂. It is soluble in DMSO (145 mg/mL, 356.72 mM). For in vivo formulation, 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% Saline: 3.3 mg/mL (8.12 mM) is recommended. Purity is ≥98%.
|
| References | |
| Additional Infomation |
GNE-2861 is a potent, ATP-competitive, type I kinase inhibitor that selectively targets group II PAKs (PAK4, PAK5, PAK6). It has been studied for its ability to sensitize drug-resistant breast cancer cells to tamoxifen and to decrease tumor cell migration and invasion in triple-negative breast cancer. The compound is a valuable tool for studying PAK signaling and potential therapeutic applications in cancer.
|
| Molecular Formula |
C22H26N6O2
|
|---|---|
| Molecular Weight |
406.480844020844
|
| Exact Mass |
406.211
|
| Elemental Analysis |
C, 65.01; H, 6.45; N, 20.68; O, 7.87
|
| CAS # |
1394121-05-1
|
| PubChem CID |
68181954
|
| Appearance |
White to yellow solid powder
|
| LogP |
2.6
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
30
|
| Complexity |
628
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COCCNC1=NC2=C(N1C3=NC(=NC=C3)N)C=C(C=C2)C#CC4(CCCCC4)O
|
| InChi Key |
RZXMIHOUHYSGJO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
|
| Chemical Name |
1-[2-[3-(2-aminopyrimidin-4-yl)-2-(2-methoxyethylamino)benzimidazol-5-yl]ethynyl]cyclohexan-1-ol
|
| Synonyms |
GNE2861; GNE 2861; GNE-2861
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~246.01 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.12 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 20.8 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: 2.08 mg/mL (5.12 mM) 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 20.8 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 | 2.4601 mL | 12.3007 mL | 24.6015 mL | |
| 5 mM | 0.4920 mL | 2.4601 mL | 4.9203 mL | |
| 10 mM | 0.2460 mL | 1.2301 mL | 2.4601 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
