| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Not applicable. DMABA NHS ester is a chemical labeling reagent, not a drug with a specific biological target. Its primary "target" is primary amine groups (-NH2) on biomolecules, including the ε-amine of lysine residues in proteins and the amine group of phosphatidylethanolamine (PE) lipids. The NHS ester group reacts with these amines to form stable amide bonds, enabling the covalent attachment of the DMABA moiety for detection and quantification by mass spectrometry or fluorescence.
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|---|---|
| ln Vitro |
DMABA NHS ester has no direct biological activity. Its in vitro utility is as a chemical labeling reagent. It reacts selectively with the primary amine group of phosphatidylethanolamine (PE) lipids, enabling detection of all PE subclasses (diacyl, ether, and plasmalogen) in a single LC-MS/MS run. The integrated DMABA chromophore enables universal precursor ion scanning (m/z 191.1) detection and quantification in lipidomics. Deuterated isotopologues (d4, d6, d10) support multiplexed quantitation for comparative studies. It is also used for protein and peptide labeling.
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| ln Vivo |
No in vivo data is applicable. DMABA NHS ester is not intended for in vivo administration; it is used exclusively as an in vitro chemical labeling reagent for mass spectrometry-based lipidomics and proteomics. Any in vivo studies would be performed by administering unlabeled compounds to animals and then using DMABA NHS ester ex vivo to derivatize extracted lipids from tissues for LC-MS/MS analysis. The compound itself is not administered as a therapeutic agent.
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| Enzyme Assay |
Standard PE lipid labeling and detection protocol: Lipid extracts are prepared from biological samples. DMABA NHS ester (1-10 mM in DMF or DMSO) is added to the lipid extract in the presence of a base (e.g., triethylamine) and incubated at room temperature for 30-60 minutes. After labeling, the reaction mixture is dried, reconstituted in mobile phase, and analyzed by LC-MS/MS with precursor ion scanning for m/z 191.1 (the DMABA-specific fragment) to detect all DMABA-labeled PE species. For protein labeling, DMABA NHS ester is reacted with proteins in PBS (pH 7.5) at room temperature for 1-2 hours.
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| Cell Assay |
Not applicable. DMABA NHS ester is a chemical labeling reagent used on extracted biomolecules or purified proteins, not on live cells as a pharmacological agent. For in vitro cell studies, cells may be treated with experimental compounds, harvested, and the extracted lipids or proteins are then derivatized ex vivo with DMABA NHS ester for mass spectrometry analysis. It is not added directly to live cells as a treatment.
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| Animal Protocol |
No specific in vivo protocol is provided. For ex vivo lipidomics studies, animals (e.g., mice) are treated with experimental compounds or diets, then tissues (e.g., liver, plasma, brain) are harvested. Lipids are extracted using a modified Bligh-Dyer method, and the extracted PE lipids are derivatized with DMABA NHS ester as described above. The derivatized lipids are analyzed by LC-MS/MS for relative quantitation of PE species. The labeling reagent itself is not administered in vivo.
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| ADME/Pharmacokinetics |
Not applicable. DMABA NHS ester is a chemical labeling reagent, not a drug candidate. Pharmacokinetic properties are not characterized. The NHS ester is reactive with water and will hydrolyze in aqueous solutions; therefore, labeling reactions are performed in organic solvents or in aqueous buffers for short time periods. The compound is typically dissolved in anhydrous DMF or DMSO immediately before use to prevent hydrolysis.
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| Toxicity/Toxicokinetics |
DMABA NHS ester is a chemical reagent and should be handled with standard laboratory safety precautions. The NHS ester is reactive and may be an irritant to skin and eyes. Material safety data recommends handling in a fume hood with appropriate personal protective equipment (gloves, lab coat, goggles). No specific toxicological data for this compound is available, as it is not intended for human consumption. For research use only.
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| References | |
| Additional Infomation |
DMABA NHS ester (CAS: 58068-85-2) has molecular formula C13H14N2O4 and molecular weight 262.26. Purity ≥98%. Appearance: Crystalline solid. Absorbance maxima: 233 nm and 323 nm. Soluble in DMF and DMSO (20 mg/mL). Synonyms: 4-(Dimethylamino)benzoic acid N-hydroxysuccinimide ester; N-Succinimidyl 4-(dimethylamino)benzoate. For research use as a labeling reagent in lipidomics and proteomics.
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| Molecular Formula |
C13H14N2O4
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|---|---|
| Molecular Weight |
262.26
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| Exact Mass |
262.095
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| CAS # |
58068-85-2
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| Related CAS # |
DMABA-d4 NHS ester;1175002-03-5;DMABA-d6 NHS ester;1175002-04-6;DMABA-d10 NHS ester;1175002-05-7
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| PubChem CID |
71312544
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
416.4±47.0 °C at 760 mmHg
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| Flash Point |
205.6±29.3 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.598
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| LogP |
0.36
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
370
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(C)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
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| InChi Key |
FNGFZOAQGYOQTG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H14N2O4/c1-14(2)10-5-3-9(4-6-10)13(18)19-15-11(16)7-8-12(15)17/h3-6H,7-8H2,1-2H3
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)benzoate
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
DMF : ~20 mg/mL (~76.26 mM; with heating and sonication)
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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 | 3.8130 mL | 19.0650 mL | 38.1301 mL | |
| 5 mM | 0.7626 mL | 3.8130 mL | 7.6260 mL | |
| 10 mM | 0.3813 mL | 1.9065 mL | 3.8130 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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