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| Targets |
PI3Kα-IN-9 targets phosphoinositide 3-kinase alpha (PI3Kα), a lipid kinase that plays a critical role in cell growth, proliferation, and survival. PI3Kα is frequently mutated in various cancers, making it an important therapeutic target. The compound is a selective and potent inhibitor of PI3Kα with an IC50 of 4.4 nM. It also inhibits PI3Kγ (128 nM), PI3Kδ (146 nM), and PI3Kβ (153 nM) with lower potency. By inhibiting PI3Kα, the compound disrupts the PI3K/AKT/mTOR signaling pathway, leading to antiproliferative effects and apoptosis.
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| ln Vitro |
PI3Kα-IN-9 (compound 27) (0-8 μM; 72 hours; cancer cell line) inhibits proliferation and triggers apoptosis [1]. Compound 27 (PI3Kα-IN-9) (0-8 μM; MGC-803 cells) suppresses the expression of p-AKT, p-P70S6 K, PI3K downstream proteins, and PI3Kα protein [1]. Finding the viability of cells[1]
In vitro, PI3Kα-IN-9 is a selective and potent PI3Kα inhibitor with an IC50 of 4.4 nM. It inhibits PI3Kγ, PI3Kδ, and PI3Kβ with IC50 values of 128, 146, and 153 nM, respectively. The compound exhibits antiproliferative activity and induces apoptosis in cancer cells. These in vitro activities confirm its potential as an anticancer agent. |
| ln Vivo |
Compound 27, also known as PI3Kα-IN-9, has a high degree of bioavailability (130%) and good stability (T1/2>10 hours) when administered orally and intravenously to male Sprague-Dawley rats (1–10 mg/kg) for a 24-hour period[1]. Compound 27, orally administered at a dose of 30 mg/kg every day for three weeks to male BALB/c nude mice, possesses low cytotoxicity and antitumor activity [1].
Specific in vivo data for PI3Kα-IN-9 are limited. The compound is orally active and has potential for cancer research. However, detailed in vivo efficacy studies in animal models have not been extensively reported. The compound is primarily used as a research tool for studying PI3Kα signaling in cancer. |
| Enzyme Assay |
In vitro kinase assays are used to characterize PI3Kα-IN-9's inhibition of PI3K isoforms. PI3K enzymes are incubated with varying concentrations of the compound, phosphatidylinositol-4,5-bisphosphate (PIP2) substrate, and ATP. Phosphatidylinositol-3,4,5-trisphosphate (PIP3) production is measured, and IC50 values are determined from dose-response curves.
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| Cell Assay |
Cell viability detection[1]
Cell Types: MGC-803 (gastric cancer), SKOV-3 (ovarian cancer), PC-3 (prostate cancer), MCF-7 (breast cancer), MDA-MB-231 (triple negative) breast cancer), HepG2 (liver cancer), RPMI8226 (multiple myeloma), K562 (chronic myeloid leukemia), U251 (glioma), and MOLT-4 (acute lymphoblastic leukemia) cell lines Tested Concentrations: 0-2 μM for Incubation Duration: 72 hrs (hours) Experimental Results: Inhibited the growth of various cancer cells with IC50 values ranging from 0.43 to 1.33 μM. Apoptosis analysis [1] Cell Types: MGC-803 Cell Tested Concentrations: 0, 2, 4 and 8 μM Incubation Duration: 36 hrs (hours) Experimental Results: The percentage of apoptotic cells increased from 12.07% to 61.69% in a dose-dependent manner. Cell-based assays for PI3Kα-IN-9 are conducted in cancer cell lines. Cells are treated with the compound at various concentrations, and cell viability is assessed using MTT or similar assays. Apoptosis is assessed by measuring caspase activation and other markers. PI3K/AKT signaling is assessed by measuring the phosphorylation of AKT and other downstream targets. |
| Animal Protocol |
Animal/Disease Models: Male BALB/c nude mice [1]
Doses: 30 mg/kg Route of Administration: Oral administration; one time/day for 3 weeks Experimental Results: Inhibition of tumor growth, tumor The growth inhibition (TGI) rate was 41.5%. In vivo animal experiments with PI3Kα-IN-9 have not been extensively documented. Typical study designs would involve oral administration of the compound in xenograft models to evaluate antitumor efficacy. Dosing regimens and routes of administration would need to be optimized. The compound is for research use only. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of PI3Kα-IN-9 include oral activity. The compound has a molecular formula of C18H21N7O3 and a molecular weight of 383.40. Solubility: DMSO: 100 mg/mL (260.82 mM; ultrasonic and warming and heat to 80°C). Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
Safety and toxicology data for PI3Kα-IN-9 are limited. The compound is for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. No specific toxicity data are available.
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| References | |
| Additional Infomation |
PI3Kα-IN-9 has CAS number 2715287-67-3, molecular formula C18H21N7O3, and molecular weight 383.40. Synonyms: compound 27. It is a selective, long-acting, and orally active PI3Kα inhibitor with IC50s of 4.4 nM (PI3Kα), 128 nM (PI3Kγ), 146 nM (PI3Kδ), and 153 nM (PI3Kβ). Purity: typically ≥98%. Not for human use; for research purposes only.
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| Molecular Formula |
C18H21N7O3
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| Molecular Weight |
383.404442548752
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| Exact Mass |
383.17
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| CAS # |
2715287-67-3
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| PubChem CID |
164886635
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| Appearance |
White to off-white solid powder
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| LogP |
1.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
28
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| Complexity |
491
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C2=CC=C(C3=NC(N4CCOCC4)=NC(N4CCOCC4)=N3)C=C2N=C1N
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| InChi Key |
LOQNSAZUXOBMAX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H21N7O3/c19-16-20-13-11-12(1-2-14(13)28-16)15-21-17(24-3-7-26-8-4-24)23-18(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H2,19,20)
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| Chemical Name |
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzoxazol-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: ~100 mg/mL (~260.8 mM; with ultrasonication and warming by heating to 80°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.52 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (6.52 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: 2.5 mg/mL (6.52 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6082 mL | 13.0412 mL | 26.0824 mL | |
| 5 mM | 0.5216 mL | 2.6082 mL | 5.2165 mL | |
| 10 mM | 0.2608 mL | 1.3041 mL | 2.6082 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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