| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| ln Vitro |
BAY1082439 is a highly selective PI3Kα/α balance inhibitor. BAY1082439 exhibits an IC50 ratio of 1:3 in PI3Kα (4.9 nM) versus PI3Kα (15.0 nM) biochemical studies and is over 1000-fold selective for mTOR kinase [1]. BAY1082439 (0.1-1 μM; 72 hours) effectively inhibits PTEN-deficient prostate cancer cells, surpassing specific inhibitors of PI3Kα and/or PI3Kβ [2].
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| ln Vivo |
The oral medication BAY1082439 (75 mg/kg; once daily for 4 weeks) is useful in stopping the progression of prostate cancer that lacks PTEN [2].
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| Cell Assay |
Cell viability assay[2]
Cell Types: PC3 and LNCaP cells (PTEN-deleted human prostate cancer cell line) Tested Concentrations: 0.1, 0.33, 1, 3.3, 10 μM Incubation Duration: 72 hrs (hours) Experimental Results: Effective inhibition of cell growth by blocking G1 /S cell cycle transition and by inducing apoptosis. |
| Animal Protocol |
Animal/Disease Models: Pten conditional knockout mouse model (Pb-Cre+; PtenL/L, CP model) [2]
Doses: 75 mg/kg Route of Administration: Po; one time/day for 4 weeks Experimental Results: Tumor size and P- AKT staining was Dramatically diminished, the luminal structure was close to normal, and Ki67-positive cells were Dramatically diminished. Dramatically inhibits the growth of human prostate cancer. Animals:** Pb-Cre⁺;Pten^(L/L) (CP) and Pb-Cre⁺;Pten^(L/L);K-ras^(G12D/W) (CPK) mice were used. All animal experiments were approved by the Ethics Committee of Peking University. [2] **In vivo drug treatment:** BAY1082439 was dissolved in 0.1 N HCl at 75 mg/mL and orally administered at doses of 50 or 75 mg/kg/day. [2] **PC3 xenograft study:** Approximately 3 x 10⁶ PC3 cells suspended in 50% matrigel were injected into the left flank of male nude mice. Tumors were allowed to grow to 25-50 mm² before randomization to vehicle or BAY1082439 treatment groups. [2] **CP mouse treatment study:** CP mice were treated with 75 mg/kg of BAY1082439 daily, starting at 6 weeks of age and ending at 10 weeks. [2] **CPK mouse treatment study:** Six-week-old CPK mice were treated with 75 mg/kg BAY1082439 daily for 4 weeks. [2] **Castration-resistant prostate cancer (CRPC) study:** Ten-week-old CP mice were castrated and then treated with vehicle, BAY1082439 (75 mg/kg/day), or rapamycin for 4 weeks. [2] |
| References |
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| Additional Infomation |
BAY1082439, a PI3Kα/β inhibitor, is an orally bioavailable class I phosphatidylinositol 3-kinase (PI3K) α and β subtype inhibitor with potential antitumor activity. BAY1082439 selectively inhibits PI3Kα (including PIK3CA mutants) and PI3Kβ in the PI3K/Akt/mTOR pathway, potentially leading to apoptosis and growth inhibition in PI3K- and/or PTEN-expressing tumor cells. Because this drug specifically targets class I PI3Kα and β, it may be more effective and less toxic than pan-PI3K inhibitors. PI3K/Akt/mTOR pathway dysregulation is common in solid tumors, leading to increased tumor cell growth, survival, and resistance to chemotherapy and radiotherapy. PIK3CA is one of the most frequently mutated oncogenes, encoding the p110-α catalytic subunit of class I PI3K. PTEN is a tumor suppressor protein and a negative regulator of PI3K activity, frequently mutated in various cancer cell types.
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| Molecular Formula |
C25H30N6O5
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|---|---|
| Molecular Weight |
494.552
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| Exact Mass |
494.227
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| CAS # |
1375469-38-7
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| PubChem CID |
135905473
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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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| Index of Refraction |
1.683
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| LogP |
-0.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
36
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| Complexity |
1010
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O1CCN(CC1)C[C@@H](COC1C=CC2C(C=1OC)=N/C(=N\C(C1=CC=CN=C1C)=O)/N1CCNC1=2)O
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| InChi Key |
QJTLLKKDFGPDPF-QGZVFWFLSA-N
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| InChi Code |
InChI=1S/C25H30N6O5/c1-16-18(4-3-7-26-16)24(33)29-25-28-21-19(23-27-8-9-31(23)25)5-6-20(22(21)34-2)36-15-17(32)14-30-10-12-35-13-11-30/h3-7,17,27,32H,8-15H2,1-2H3/t17-/m1/s1
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| Chemical Name |
N-[8-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide
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| Synonyms |
BAY10-82439 BAY-10-82439 BAY 10-82439
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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 : ~5 mg/mL (~10.11 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 | 2.0220 mL | 10.1102 mL | 20.2204 mL | |
| 5 mM | 0.4044 mL | 2.0220 mL | 4.0441 mL | |
| 10 mM | 0.2022 mL | 1.0110 mL | 2.0220 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01728311 | COMPLETED | Drug: BAY1082439 | Neoplasms | Bayer | 2012-11-21 | Phase 1 |
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