| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
The molecular targets of T-Muurolol are not fully characterized. However, computational studies suggest it has strong binding interactions with FAD-dependent NAD(P)H oxidase and cyclooxygenase-2 (COX-2). By potentially inhibiting these enzymes, the compound could reduce oxidative stress and inflammation. This in silico data provides a starting point for understanding its observed biological activities.
|
|---|---|
| ln Vitro |
In vitro, T-Muurolol has demonstrated antimicrobial activity against various bacterial strains, as well as antioxidant and anti-inflammatory properties. Its antioxidant activity can be measured using chemical assays like DPPH radical scavenging. Its anti-inflammatory activity is inferred from its potential to inhibit COX-2, and could be measured by its ability to reduce the production of pro-inflammatory cytokines (e.g., IL-6, TNF-alpha) in activated immune cells.
|
| ln Vivo |
No specific in vivo activity data is available. As a volatile oil component found in essential oils that exhibit in vivo biological effects, it is presumed to contribute to the overall activity of the oil. No stand-alone in vivo pharmacological studies have been reported. Its role as a plant metabolite and potential fungicide suggests in vivo activity in a plant or fungal context, but not in animals.
|
| Enzyme Assay |
Direct binding of T-Muurolol to its predicted targets (e.g., COX-2) can be evaluated using molecular docking simulations. For experimental validation, a fluorescence polarization (FP) or surface plasmon resonance (SPR) assay could be performed with recombinant COX-2 protein. However, no such protocols are reported for this specific compound. Its mechanism is often inferred from its structural similarity to other bioactive sesquiterpenes.
|
| Cell Assay |
For in vitro cell-based assays, cells (e.g., RAW 264.7 macrophages) are cultured in DMEM media. T-Muurolol is dissolved in DMSO and then diluted in media to desired concentrations (e.g., 10-100 uM). Cells are pretreated with T-Muurolol for 1 hour, then stimulated with lipopolysaccharide (LPS) to induce inflammation. After 24 hours, the supernatant is collected for cytokine measurement (e.g., by ELISA for TNF-alpha and IL-6). Cell viability is measured by MTT assay to ensure observed effects are not due to cytotoxicity.
|
| Animal Protocol |
No specific in vivo protocols are documented. For a speculative study, the compound could be administered to rodents (e.g., mice) to test its anti-inflammatory potential. For example, in a carrageenan-induced paw edema model, T-Muurolol would be injected intraperitoneally or given orally 1 hour before the carrageenan challenge, and paw swelling is measured over 4-6 hours. Such protocols would require significant optimization.
|
| ADME/Pharmacokinetics |
No specific pharmacokinetic data is available. As a sesquiterpenoid with a molecular weight of 222.37 and a LogP around 3-4, it is expected to be lipophilic and well-absorbed. It is soluble in organic solvents such as DMSO and ethanol. For research, the powder should be stored at -20degC, protected from light and moisture. Solutions in DMSO should be stored at -80degC.
|
| Toxicity/Toxicokinetics |
No specific toxicology data is available for T-Muurolol. As a natural product, it is likely of low acute toxicity. Standard laboratory safety precautions should be followed. It may be a skin, eye, and respiratory tract irritant. Avoid inhalation, ingestion, and skin contact. The compound is strictly for research use only and not for human or veterinary use.
|
| References | |
| Additional Infomation |
(-)-Tau-muurolol is a caldecane sesquiterpene compound composed of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene with a hydroxyl substituent at the 1-position, and a configuration of (1S,4S,4aR,8aS). It is a plant metabolite, fungicide, volatile oil component, marine metabolite, and bacterial metabolite. It is a caldecane sesquiterpene compound, a carbon-bicyclic compound, a tertiary alcohol, and a member of the octahydronaphthalene class. It is the enantiomer of (+)-Tau-muurolol. T-muurolol has been reported to exist in Calypogeia muelleriana, Solanum tuberosum, and several other organisms with relevant data.
T-Muurolol is a sesquiterpenoid natural product used as a research chemical. It has demonstrated in silico and in vitro antimicrobial, antioxidant, and anti-inflammatory activities. It is not a drug and has no approved clinical or therapeutic use, being strictly for laboratory research. |
| Molecular Formula |
C15H26O
|
|---|---|
| Molecular Weight |
222.37
|
| Exact Mass |
222.198
|
| CAS # |
19912-62-0
|
| PubChem CID |
3084331
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.775
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
16
|
| Complexity |
292
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)C
|
| InChi Key |
LHYHMMRYTDARSZ-AJNGGQMLSA-N
|
| InChi Code |
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
|
| Chemical Name |
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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 | 4.4970 mL | 22.4850 mL | 44.9701 mL | |
| 5 mM | 0.8994 mL | 4.4970 mL | 8.9940 mL | |
| 10 mM | 0.4497 mL | 2.2485 mL | 4.4970 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
