| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| 500mg | |||
| Other Sizes |
| Targets |
Agarotetrol does not have a well-defined therapeutic target. As a chromone derivative, it may interact with various biological targets, but its primary role is as a fragrant compound in agarwood. Its biological activities are not extensively characterized in the provided search results. It is used in research to study the chemical composition of agarwood and its fragrance components.
|
|---|---|
| ln Vitro |
Agarotetrol is a chromone derivative derived from agarwood and exhibits no inhibitory effect against phosphodiesterase (PDE) 3A (IC50, >100 μM).
In vitro, Agarotetrol's activities are not well characterized. Its primary use is as a reference compound in analytical chemistry to study the components of agarwood. It may have antioxidant or other properties, but specific data are not provided. |
| ln Vivo |
In vivo, Agarotetrol is not used as a therapeutic agent. Its application is primarily in research and the fragrance industry.
|
| Enzyme Assay |
In vitro non-cell assays for Agarotetrol are primarily analytical, such as HPLC or GC-MS, to identify and quantify it in agarwood extracts.
|
| Cell Assay |
In vitro cell-based assays for Agarotetrol are not typically performed, as it is not a drug.
|
| Animal Protocol |
In vivo animal studies are not typically performed with Agarotetrol, as it is not a therapeutic agent.
|
| ADME/Pharmacokinetics |
Agarotetrol has a molecular weight of 318.32 g/mol and a molecular formula of C₁₇H₁₈O₆. It is a white powder. It is soluble in DMSO at ≥60 mg/mL. The compound should be stored under appropriate conditions, typically at -20°C, protected from light and moisture.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Agarotetrol is not extensively detailed. As a natural product from agarwood, it is generally considered to have a good safety profile. However, comprehensive toxicological studies are lacking. It is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
Agarotetrol is a pyranone compound. Reports have indicated that agarwood (Aquilaria malaccensis) contains linalol, and relevant data are available for reference.
Agarotetrol is a chromone derivative from agarwood that contributes to its fragrance. It is used in research on agarwood composition. It is not approved for clinical use and is intended for research purposes only. |
| Molecular Formula |
C17H18O6
|
|---|---|
| Molecular Weight |
318.3212
|
| Exact Mass |
318.11
|
| CAS # |
69809-22-9
|
| PubChem CID |
13606036
|
| Appearance |
White to off-white solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
581.3±50.0 °C at 760 mmHg
|
| Flash Point |
216.5±23.6 °C
|
| Vapour Pressure |
0.0±1.7 mmHg at 25°C
|
| Index of Refraction |
1.676
|
| LogP |
2.72
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
531
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)[C@H]([C@@H]([C@@H]([C@H]3O)O)O)O
|
| InChi Key |
CWMIROLCTHMEEO-JJXSEGSLSA-N
|
| InChi Code |
InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
|
| Chemical Name |
(5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO : ~250 mg/mL (~785.37 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.53 mM) (saturation unknown) 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.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1415 mL | 15.7075 mL | 31.4149 mL | |
| 5 mM | 0.6283 mL | 3.1415 mL | 6.2830 mL | |
| 10 mM | 0.3141 mL | 1.5707 mL | 3.1415 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
