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| Targets |
PI3K-IN-36 targets PI3K, a key lipid kinase in the PI3K/AKT/mTOR signaling pathway. By inhibiting PI3K, it aims to disrupt aberrant signaling associated with diseases like cancer, autoimmune disorders, and metabolic diseases. It specifically targets PI3K's lipid kinase activity to prevent cancer cell proliferation and metastasis.
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| ln Vitro |
No detailed in vitro activity data beyond its classification as a potent PI3K inhibitor is provided. PI3K-IN-36 is described as a potent PI3K inhibitor suitable for research in follicular lymphoma (FL), suggesting strong anti-proliferative activity in FL cell lines.
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| ln Vivo |
No in vivo data is reported for PI3K-IN-36. Based on its mechanism as a PI3K inhibitor and its intended use in follicular lymphoma research, it is expected to show anti-tumor activity in xenograft models of this malignancy.
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| Enzyme Assay |
A typical PI3K kinase inhibition assay uses either a lipid-based or ADP-Glo format. Recombinant PI3K enzyme is incubated with increasing concentrations of PI3K-IN-36, ATP, and a PIP2 substrate. After the reaction, detection reagents are added to measure the amount of PIP3 produced or ATP consumed, and luminescence is read to calculate the IC50 value.
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| Cell Assay |
For cellular assays, follicular lymphoma (FL) cell lines (e.g., DOHH2, WSU-FSCCL) are seeded in 96-well plates. Cells are treated with a dilution series of PI3K-IN-36 (0.1 nM to 10 uM) for 72 hours. Cell viability is measured using a luminescence-based assay (e.g., CellTiter-Glo). For pharmacodynamic assessment, cells are treated for 2-6 hours, and AKT phosphorylation at Ser473 is measured by Western blot or phospho-specific ELISA.
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| Animal Protocol |
No in vivo animal experiment data is available for this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PI3K-IN-36 is not reported in the provided references.
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| Toxicity/Toxicokinetics |
No specific toxicology data is reported for PI3K-IN-36, as it is currently a preclinical research compound.
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| References | |
| Additional Infomation |
PI3K-IN-36 (CAS: 1401436-93-8; compound A36) is a potent PI3K inhibitor used for research in follicular lymphoma (FL). Its molecular formula is C30H36F2N8O with a molecular weight of 562.66. By inhibiting PI3K's lipid kinase activity, it aims to disrupt aberrant signaling in cancer, autoimmune disorders, and metabolic diseases. Storage conditions: powder at -20degC for 3 years or in solvent at -80degC for 6 months.
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| Molecular Formula |
C30H36F2N8O
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|---|---|
| Molecular Weight |
562.656652450562
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| Exact Mass |
562.298
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| CAS # |
1401436-93-8
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| PubChem CID |
66571372
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| Appearance |
White to off-white solid powder
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| LogP |
5.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
41
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| Complexity |
826
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1=C(N2CCOCC2)N=C(N2C(C(F)F)=NC3=CC=CC=C32)N=C1NC(C)(C)CC1=CC=CC=C1C1CCNCC1
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| InChi Key |
YLLUIILPJZBRRN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H36F2N8O/c1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32/h3-10,20,25,33H,11-19H2,1-2H3,(H,35,36,37,38)
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| Chemical Name |
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-piperidin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
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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) |
DMSO: 12.5 mg/mL (22.22 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 | 1.7773 mL | 8.8864 mL | 17.7727 mL | |
| 5 mM | 0.3555 mL | 1.7773 mL | 3.5545 mL | |
| 10 mM | 0.1777 mL | 0.8886 mL | 1.7773 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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