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| Targets |
GNE-490 targets class I phosphatidylinositol 3-kinases (PI3Ks), including PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ. It demonstrates selectivity over mTOR. By inhibiting PI3Ks, GNE-490 disrupts the PI3K/Akt signaling pathway, which regulates cell proliferation, survival, and metabolism.
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| ln Vitro |
In vitro, GNE-490 is a potent pan-PI3K inhibitor with IC₅₀ values of 3.5 nM, 25 nM, 5.2 nM, and 15 nM for PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ, respectively. It has >200-fold selectivity for mTOR (IC₅₀ = 750 nM). It has good pharmacokinetic parameters and demonstrates knock down of pathway markers.
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| ln Vivo |
In vivo, GNE-490 has inhibitory efficacy in the MCF7.1 breast cancer xenograft model. It has good pharmacokinetic parameters and demonstrates knock down of pathway markers in vivo. The compound shows potent suppression efficacy against breast cancer xenografts.
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| Enzyme Assay |
GNE-490's PI3K inhibition activity has been characterized using biochemical kinase assays. The compound inhibits PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ with IC₅₀ values of 3.5 nM, 25 nM, 5.2 nM, and 15 nM, respectively. Selectivity over mTOR (IC₅₀ = 750 nM) is also assessed.
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| Cell Assay |
In vitro cell experiments with GNE-490 involve treating cancer cells with the compound and assessing its effects on cell proliferation, survival, and PI3K/Akt signaling. The compound's effects on pathway markers are assessed using Western blotting. Cell viability is measured using standard assays.
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| Animal Protocol |
In vivo animal studies with GNE-490 have been conducted using the MCF7.1 breast cancer xenograft model. The compound is typically administered via oral gavage. It shows potent suppression efficacy and knock down of pathway markers in vivo.
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| ADME/Pharmacokinetics |
GNE-490 has good pharmacokinetic parameters. As a small molecule with a molecular weight of 386.47 g/mol, the compound has good oral bioavailability and tissue penetration. Further pharmacokinetic studies are needed to fully characterize its properties.
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| Toxicity/Toxicokinetics |
GNE-490 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
GNE-490 has a molecular formula of C₁₈H₂₂N₆O₂S and a molecular weight of 386.47 g/mol. It is a highly selective pan-PI3K inhibitor with IC₅₀ values of 3.5 nM, 25 nM, 5.2 nM, and 15 nM for PI3Kα, PI3Kβ, PI3Kδ, and PI3Kγ, respectively. It has >200-fold selectivity for mTOR (IC₅₀ = 750 nM) and shows inhibitory efficacy in the MCF7.1 breast cancer xenograft model.
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| Molecular Formula |
C8H6N3BR
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|---|---|
| Molecular Weight |
224.05734
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| Exact Mass |
386.152
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| CAS # |
1033739-92-2
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| PubChem CID |
46180666
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
595.3±60.0 °C at 760 mmHg
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| Flash Point |
313.9±32.9 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.676
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| LogP |
1.48
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
520
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=NC(=NC=C1C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)C(C)(C)O)N
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| InChi Key |
SFWTVVNNVHWDEE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H22N6O2S/c1-10-11(9-20-17(19)21-10)15-22-12-8-13(18(2,3)25)27-14(12)16(23-15)24-4-6-26-7-5-24/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21)
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| Chemical Name |
2-[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO : ≥ 100 mg/mL (~258.75 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4631 mL | 22.3155 mL | 44.6309 mL | |
| 5 mM | 0.8926 mL | 4.4631 mL | 8.9262 mL | |
| 10 mM | 0.4463 mL | 2.2315 mL | 4.4631 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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