| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
42-(2-Tetrazolyl)rapamycin targets the mechanistic target of rapamycin (mTOR), a serine/threonine kinase that regulates cell growth, proliferation, and metabolism. As a prodrug of a rapamycin analog, the compound is converted to an active mTOR inhibitor in vivo. By inhibiting mTOR, the compound modulates cell growth and proliferation pathways.
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| ln Vitro |
In vitro, 42-(2-Tetrazolyl)rapamycin is a prodrug compound of a rapamycin analog. Rapamycin analogs are known to inhibit mTOR activity, affecting cell growth and proliferation. The tetrazole moiety at the 42-position may alter the compound's properties compared to rapamycin. The compound's activity is typically assessed in cell-based assays measuring mTOR signaling and cell proliferation.
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| ln Vivo |
In vivo, 42-(2-Tetrazolyl)rapamycin functions as a prodrug that is converted to an active rapamycin analog. Rapamycin and its analogs have demonstrated efficacy in various disease models, including cancer and transplant rejection. The compound is a precursor active molecular compound of rapamycin analogs. Further in vivo studies are needed to fully characterize its efficacy, safety, and pharmacokinetic profile.
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| Enzyme Assay |
For in vitro binding assays, 42-(2-Tetrazolyl)rapamycin can be evaluated using mTOR binding assays. The compound or its active metabolite is incubated with recombinant mTOR protein at various concentrations. Binding affinity is determined using surface plasmon resonance (SPR), isothermal titration calorimetry (ITC), or fluorescence-based methods. Functional activity as an mTOR inhibitor is assessed using kinase activity assays measuring mTOR-mediated phosphorylation.
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| Cell Assay |
For in vitro cellular experiments, 42-(2-Tetrazolyl)rapamycin is tested in cell lines to evaluate its effects on mTOR signaling and cell proliferation. Cells are cultured in appropriate media and treated with various concentrations of the compound. mTOR activity is assessed by measuring phosphorylation of mTOR substrates (such as S6K and 4E-BP1) using Western blotting. Cell viability and proliferation are assessed using standard assays. The compound's effects on cell cycle and autophagy are also evaluated.
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| Animal Protocol |
For in vivo animal experiments, 42-(2-Tetrazolyl)rapamycin can be administered to animals via various routes including oral gavage, intravenous injection, or intraperitoneal injection. The compound's efficacy can be evaluated in models of cancer, transplant rejection, or other mTOR-related diseases. Typical dosing regimens may range from 1 to 50 mg/kg. Pharmacodynamic markers such as mTOR substrate phosphorylation are measured in tissues. Disease progression and physiological parameters are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 42-(2-Tetrazolyl)rapamycin are not extensively detailed in the public literature. As a prodrug with a molecular weight of 966.21, it is expected to be converted to the active rapamycin analog in vivo. The tetrazole moiety may affect its solubility and stability. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies.
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| Toxicity/Toxicokinetics |
Toxicological data for 42-(2-Tetrazolyl)rapamycin are limited, as it is primarily a research tool. As an mTOR inhibitor, its toxicity would depend on the importance of mTOR signaling for normal cellular function. Rapamycin analogs are known to have immunosuppressive effects and other side effects. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and immunotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
42-(2-Tetrazolyl)rapamycin is a research compound used as a prodrug of a rapamycin analog. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is a semi-synthetic rapamycin analog featuring a tetrazole moiety substitution at the 42-position of the macrolide core.
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| Molecular Formula |
C52H79N5O12
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|---|---|
| Molecular Weight |
966.209975481033
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| Exact Mass |
965.572
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| CAS # |
221877-56-1
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| Related CAS # |
Zotarolimus;221877-54-9
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| PubChem CID |
44405767
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| Appearance |
White to off-white solid powder
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| LogP |
6.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
69
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| Complexity |
1890
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| Defined Atom Stereocenter Count |
15
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| SMILES |
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@@H]([C@@H](C4)OC)N5N=CN=N5)C)/C)O)OC)C)C)/C)OC
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| InChi Key |
IURNHYDSJVLLPN-JUKNQOCSSA-N
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| InChi Code |
InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-54-30-53-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
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| Chemical Name |
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
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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 : ≥ 130 mg/mL (~134.55 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 | 1.0350 mL | 5.1749 mL | 10.3497 mL | |
| 5 mM | 0.2070 mL | 1.0350 mL | 2.0699 mL | |
| 10 mM | 0.1035 mL | 0.5175 mL | 1.0350 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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