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| Targets |
Br-Mmc does not have a pharmacological target; it is a chemical reagent used for fluorescent labeling. It selectively reacts with carboxylic acid groups, enabling the detection and quantification of compounds containing carboxyl groups, such as fatty acids. The compound is used in analytical chemistry for HPLC and TLC applications. Its primary function is as a derivatization reagent for improved detection sensitivity in chromatographic analysis.
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| ln Vitro |
In vitro, Br-Mmc is used as a fluorescent labeling reagent for the determination of fatty acids by TLC or HPLC. It selectively reacts with carboxylic acid groups. The compound's activity is evaluated based on its labeling efficiency and the sensitivity of detection of derivatized compounds. However, it does not have biological activity in the traditional sense, as it is a chemical reagent rather than a drug.
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| ln Vivo |
In vivo activity of Br-Mmc is not applicable, as the compound is a chemical reagent used for analytical purposes and not a therapeutic agent. It is not administered to living organisms for pharmacological studies. Its use is strictly limited to in vitro analytical chemistry applications.
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| Enzyme Assay |
Cell-free assays for Br-Mmc involve its use as a fluorescent labeling reagent in analytical chemistry. The compound is reacted with samples containing carboxylic acid-containing compounds. The resulting fluorescent derivatives are separated and detected by TLC or HPLC. The labeling efficiency is assessed by measuring fluorescence intensity. The compound's chemical purity and identity are confirmed by HPLC, NMR, and mass spectrometry. It has a melting point of 213-215°C.
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| Cell Assay |
In vitro cellular assays are not applicable for Br-Mmc, as it is a chemical reagent used for analytical purposes and not for biological activity studies. However, it could potentially be used to label carboxyl-containing biomolecules in cell lysates for analytical detection. The compound is typically dissolved in appropriate organic solvents for labeling reactions.
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| Animal Protocol |
In vivo animal studies are not applicable for Br-Mmc, as it is a chemical reagent used for analytical purposes and not a therapeutic agent. It is not administered to animals for pharmacological studies. Its use is strictly limited to in vitro analytical chemistry applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Br-Mmc include a molecular weight of 269.09 g/mol and molecular formula C11H9BrO3. It has a melting point of 213-215°C and purity ≥98%. As a chemical reagent, its pharmacokinetic properties are not relevant. The compound is typically stored at appropriate conditions as a research reagent. Detailed ADME parameters are not applicable.
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| Toxicity/Toxicokinetics |
The toxicity profile of Br-Mmc is related to its use as a chemical reagent. Standard safety precautions should be followed when handling this compound, including the use of personal protective equipment. It is intended for research and analytical use only and not for therapeutic applications in humans.
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| References |
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| Additional Infomation |
Br-Mmc (4-bromomethyl-7-methoxycoumarin) is a fluorescent labeling reagent used for the determination of fatty acids by TLC or HPLC. It selectively reacts with carboxylic acid groups. Its molecular formula is C11H9BrO3 with a molecular weight of 269.09 g/mol. Br-Mmc is a research and analytical tool, not a therapeutic agent.
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| Molecular Formula |
C11H9BRO3
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|---|---|
| Molecular Weight |
269.0914
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| Exact Mass |
267.973
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| CAS # |
35231-44-8
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| PubChem CID |
121894
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
385.3±42.0 °C at 760 mmHg
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| Melting Point |
213-215 °C(lit.)
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| Flash Point |
186.8±27.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.595
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| LogP |
2.73
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
288
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CTENSLORRMFPDH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
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| Chemical Name |
4-(bromomethyl)-7-methoxychromen-2-one
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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 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)
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| 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
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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 | 3.7162 mL | 18.5811 mL | 37.1623 mL | |
| 5 mM | 0.7432 mL | 3.7162 mL | 7.4325 mL | |
| 10 mM | 0.3716 mL | 1.8581 mL | 3.7162 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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