| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
AKR1C3 (aldo-keto reductase family 1 member C3) is the primary molecular target. The compound is a fluorescent substrate designed to measure AKR1C3 enzyme activity.
|
|---|---|
| ln Vitro |
Coumberol is a fluorescent substrate of AKR1C3 protein. Coumberol can be used for the research of AKR1C3. Structurally related to coumarins, it exhibits strong UV absorbance and moderate fluorescence, making it useful in spectroscopic studies and as a scaffold for fluorogenic probe development.
|
| ln Vivo |
There is no specific in vivo activity data available for this compound. As a substrate for AKR1C3, it can be used in animal models to study the role of this enzyme in various diseases, including cancer and hormone-related disorders.
|
| Enzyme Assay |
A standard protocol involves incubating Coumberol (e.g., 10-50 uM) with varying concentrations of purified AKR1C3 enzyme and its cofactor (NADPH) in an assay buffer (e.g., PBS, pH 7.4) at 37degC. The change in fluorescence over time is measured using a fluorescence spectrophotometer.
|
| Cell Assay |
A general protocol for cellular experiments involves lysing cells and incubating the lysate with Coumberol (e.g., 20 uM) and NADPH in an assay buffer. The increase in fluorescence over time is measured to determine AKR1C3 activity in the sample. A specific AKR1C3 inhibitor (e.g., medroxyprogesterone acetate) can be used as a control.
|
| Animal Protocol |
There is no standard in vivo protocol for this compound. However, it can be injected intravenously or intratumorally into animal models to study AKR1C3 activity in vivo. General guidelines for in vivo imaging should be followed, including dose optimization and circulation time.
|
| ADME/Pharmacokinetics |
General PK properties for small molecule substrates are not applicable. In vivo, Coumberol would likely be metabolized by AKR1C3 and other enzymes, leading to a relatively short half-life. Formulation can be in PBS or saline with co-solvents like DMSO.
|
| Toxicity/Toxicokinetics |
General toxicity for fluorescent substrates is considered low. For Coumberol, no specific toxicity studies are reported. Standard safety precautions for handling laboratory chemicals should be observed.
|
| References | |
| Additional Infomation |
AKR1C3 is an important enzyme involved in the metabolism of steroids and prostaglandins and is a drug target for cancer and inflammatory diseases. Coumberol is a research tool for studying AKR1C3 activity and for screening potential inhibitors of this enzyme.
|
| Molecular Formula |
C22H21NO3
|
|---|---|
| Molecular Weight |
347.41
|
| Exact Mass |
347.152
|
| CAS # |
878019-53-5
|
| PubChem CID |
11530344
|
| Appearance |
Light yellow to green yellow solid powder
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
26
|
| Complexity |
582
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C12=C3OC(=O)C=C(C(O)C4=CC=CC=C4)C3=CC3=C1N(CCC3)CCC2
|
| InChi Key |
FXBJCIJXXOXALP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C22H21NO3/c24-19-13-17(21(25)14-6-2-1-3-7-14)18-12-15-8-4-10-23-11-5-9-16(20(15)23)22(18)26-19/h1-3,6-7,12-13,21,25H,4-5,8-11H2
|
| Chemical Name |
6-[hydroxy(phenyl)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-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 |
| 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: 50 mg/mL (143.92 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.20 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 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. Solubility in Formulation 2: 2.5 mg/mL (7.20 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8784 mL | 14.3922 mL | 28.7844 mL | |
| 5 mM | 0.5757 mL | 2.8784 mL | 5.7569 mL | |
| 10 mM | 0.2878 mL | 1.4392 mL | 2.8784 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
