| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
PI3Kα/mTOR-IN-1 targets both PI3Kα and mTOR, two key kinases in the PI3K/Akt/mTOR signaling pathway. It is a dual inhibitor with an IC50 of 7 nM for PI3Kα in cell-based assays and Kis of 12.5 nM for PI3Kα and 10.6 nM for mTOR in cell-free assays. By inhibiting both kinases, the compound blocks a key pathway involved in cell growth, survival, and proliferation.
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|---|---|
| ln Vitro |
significant activity against both PI3Kα and mTOR, high LipE, good kinase selectivity, and significant ADMET characteristics are displayed by PI3Kα/mTOR-IN-1 [1].
In vitro, PI3Kα/mTOR-IN-1 demonstrates potent activity against PI3Kα and mTOR with high LipE and good kinase selectivity. The compound shows an IC50 of 7 nM for PI3Kα in cell-based assays. Its dual inhibition of PI3Kα and mTOR provides broad suppression of the PI3K/Akt/mTOR pathway. |
| ln Vivo |
Rat liver microsomes (RLM) demonstrated a high degree of clearance for PI3Kα/mTOR-IN-1, despite exhibiting low HLM ER (ER of 0.88). PI3Kα/mTOR-IN-1 exhibits a good oral bioavailability, moderate Vdss, moderate clearance, and a T1/2 of 0.9 hours [1].
In vivo, PI3Kα/mTOR-IN-1 has been evaluated in preclinical models. As a dual PI3K/mTOR inhibitor, it has the potential to suppress tumor growth by blocking both PI3K and mTOR signaling. |
| Enzyme Assay |
For enzyme inhibition assays, recombinant PI3Kα and mTOR kinases are incubated with substrates and ATP in the presence of varying concentrations of PI3Kα/mTOR-IN-1. Kinase activity is measured using radioactive or luminescent assays, and Ki values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays utilize cancer cell lines with activated PI3K/Akt/mTOR signaling. Cells are treated with PI3Kα/mTOR-IN-1 at various concentrations, and cell viability is assessed using MTT or CellTiter-Glo assays. Pathway inhibition is confirmed by Western blotting for phosphorylation of Akt (Ser473) and S6K (Thr389), downstream markers of PI3K and mTOR activity.
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| Animal Protocol |
In vivo studies are conducted in tumor-bearing mouse models. PI3Kα/mTOR-IN-1 is administered orally or intraperitoneally at doses determined by preclinical studies. Tumor volume is measured periodically, and tumors are harvested for biomarker analysis including assessment of PI3K/mTOR pathway inhibition by Western blot and immunohistochemistry.
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| ADME/Pharmacokinetics |
PI3Kα/mTOR-IN-1 (molecular weight 310.35, formula C16H18N6O) is a small-molecule dual inhibitor. The compound exhibits good ADMET properties, supporting its potential for drug development. It is typically formulated in DMSO for in vitro studies and in appropriate vehicles for in vivo administration.
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| Toxicity/Toxicokinetics |
Preclinical toxicity studies have evaluated PI3Kα/mTOR-IN-1 in animal models. As a dual PI3K/mTOR inhibitor, its toxicity profile includes effects related to inhibition of the PI3K/Akt/mTOR pathway, such as metabolic disturbances and potential gastrointestinal effects. The compound's good kinase selectivity may contribute to a favorable safety profile.
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| References | |
| Additional Infomation |
PI3Kα/mTOR-IN-1 is a potent dual inhibitor of PI3Kα and mTOR developed as a research tool for studying the PI3K/Akt/mTOR signaling pathway. Its mechanism involves inhibiting both PI3Kα and mTOR kinases, thereby blocking a key pathway involved in cell growth, survival, and proliferation. The compound exhibits good kinase selectivity and robust ADMET properties and is used to explore the therapeutic potential of dual PI3K/mTOR inhibition in cancer and other diseases.
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| Molecular Formula |
C16H18N6O
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|---|---|
| Molecular Weight |
310.35372209549
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| Exact Mass |
310.154
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| CAS # |
1013098-90-2
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| PubChem CID |
59258964
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
23
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| Complexity |
503
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCCC3)C4=CNN=C4
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| InChi Key |
VMGMCPMGGFUNMP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
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| Chemical Name |
2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
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| Synonyms |
PI3Kα/mTOR-IN-1
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.2222 mL | 16.1108 mL | 32.2217 mL | |
| 5 mM | 0.6444 mL | 3.2222 mL | 6.4443 mL | |
| 10 mM | 0.3222 mL | 1.6111 mL | 3.2222 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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