| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
Mammalian target of rapamycin (mTOR), specifically the mTORC1 and mTORC2 complexes. mTOR inhibitor-3 is a potent and selective inhibitor of mTOR kinase. By inhibiting mTOR, it blocks the phosphorylation of downstream targets such as S6K1 and 4E-BP1, which are involved in protein synthesis and cell growth.
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| ln Vitro |
mTOR inhibitor-3 (compound 12i) has a 500-fold selectivity over the closely related PI3 kinase and inhibits mTOR with a Ki of 1.5 nM. NCI-PC3 and MCF7neo/Her2 cell growth is inhibited by mTOR inhibitor-3, with IC50 values of 150 nM and 57 nM, respectively[2].
mTOR inhibitor-3 is a potent and selective inhibitor of mTOR kinase. It has been shown to inhibit the phosphorylation of mTOR downstream targets, such as S6K1 and 4E-BP1, in vitro. Its IC50 value for mTOR is in the low nanomolar range. It exhibits selectivity for mTOR over other kinases. |
| ln Vivo |
Mice (1818 mL/min/kg) and rats (1538 mL/min/kg) exhibit high free plasma clearance for mTOR inhibitor-3 (compound 8h) [1]. For this investigation, mTOR inhibitor-3 (compound 12i) was chosen because of its potency, selectivity, and favorable mouse PK characteristics. Six hours after oral dosing, plasma levels of mTOR inhibitor-3 and phosphorylated mTORC1 and -2 substrates were factor lower in PC3 tumor-bearing mice compared to time-matched vehicle controls. With a dose of 1 mg/kg intraperitoneally in mice, mTOR inhibitor-3 has an intermediate terminal elimination half-life (t1/2=1.7 hours). At the highest dose tested, 200 mg/kg/day, mTOR inhibitor-3 produced tumor arrest; this dose also seems to be near the molecule's tolerance limit [2].
In vivo, mTOR inhibitor-3 has been shown to inhibit tumor growth in xenograft models. Its anti-tumor activity is attributed to its ability to inhibit mTOR signaling, leading to reduced cell proliferation and increased apoptosis. It has been investigated for its potential in cancer therapy. |
| Enzyme Assay |
In vitro assays for mTOR inhibitor-3 involve measuring its kinase inhibitory activity. The compound is incubated with mTOR kinase and a substrate (e.g., 4E-BP1 or S6K) in the presence of ATP. The phosphorylation of the substrate is measured using a radioactive or fluorescence-based assay. IC50 values are determined from concentration-response curves.
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| Cell Assay |
In vitro cell-based assays for mTOR inhibitor-3 are performed to study its effects on mTOR signaling. Cells are treated with the compound, and the phosphorylation of mTOR downstream targets such as S6K1 and 4E-BP1 is measured by western blotting. The compound's effects on cell proliferation, cell cycle, and apoptosis can also be assessed.
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| Animal Protocol |
In vivo animal studies for mTOR inhibitor-3 are conducted in xenograft models of cancer. Tumor-bearing mice are treated with the compound, and tumor growth is measured. The compound's effects on mTOR signaling in the tumor tissue can be assessed by measuring the phosphorylation of downstream targets.
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| ADME/Pharmacokinetics |
mTOR inhibitor-3 has a molecular weight of 328.80 and a molecular formula of C17H17ClN4O. As a small molecule, it is expected to have reasonable oral bioavailability. It should be stored as powder at -20°C. For in vivo administration, it can be formulated in a suitable vehicle.
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| Toxicity/Toxicokinetics |
No specific toxicity data are documented for mTOR inhibitor-3 in the provided sources. As a research compound, it is intended for laboratory use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound.
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| References |
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| Additional Infomation |
mTOR inhibitors are any substances that can inhibit the mammalian target of rapamycin (mTOR or FK506-binding protein 12-rapamycin-associated protein 1 (FRAP1)). mTOR is a serine/threonine protein kinase that plays an important role in the regulation of cell growth, proliferation, and motility. Inhibiting mTOR can inhibit cell proliferation.
mTOR inhibitor-3 is a potent and selective inhibitor of mTOR kinase. It targets both mTORC1 and mTORC2. It has been investigated for its anti-cancer activity. It is for research use only. |
| Molecular Formula |
C25H30N8O2
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|---|---|
| Molecular Weight |
474.558104038239
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| Exact Mass |
474.249
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| CAS # |
1207358-59-5
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| PubChem CID |
59239114
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| Appearance |
White to off-white solid powder
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| LogP |
3.27
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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 |
5
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| Heavy Atom Count |
35
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| Complexity |
684
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4=NC=CC=N4)C(=N2)N5CCOC[C@@H]5C
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| InChi Key |
WQBAZXIQANTUOY-KRWDZBQOSA-N
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| InChi Code |
InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1
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| Chemical Name |
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
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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 : ~50 mg/mL (~105.36 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.27 mM) (saturation unknown) 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.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 2: ≥ 2.5 mg/mL (5.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1072 mL | 10.5361 mL | 21.0722 mL | |
| 5 mM | 0.4214 mL | 2.1072 mL | 4.2144 mL | |
| 10 mM | 0.2107 mL | 1.0536 mL | 2.1072 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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