| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
1-Benzylpyrrole-2,5-dione does not have a defined biological target as a therapeutic agent. It is a chemical building block used in organic synthesis and bioconjugation. The compound's maleimide functionality reacts selectively with thiol groups, making it useful for the modification of proteins and peptides. Its biological activity would be determined by the final molecules into which it is incorporated. It is not characterized for direct pharmacological effects.
|
|---|---|
| ln Vitro |
Specific in vitro activity data for 1-Benzylpyrrole-2,5-dione as a pharmacological agent are not documented in the literature, as it is primarily used as a chemical intermediate and bioconjugation reagent. The compound's maleimide group reacts with thiols, but the parent compound itself is not characterized for direct biological effects such as enzyme inhibition or receptor modulation.
|
| ln Vivo |
1-Benzylpyrrole-2,5-dione is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as a chemical building block and bioconjugation reagent in research. The compound is not intended to be administered to animals for pharmacological or toxicological studies. Its derivatives may be evaluated in vivo depending on their therapeutic targets.
|
| Enzyme Assay |
1-Benzylpyrrole-2,5-dione is not used in enzyme/receptor binding assays as a test compound. Its primary applications are as a maleimide reagent for thiol-selective conjugation. When used in research, it is employed in bioconjugation protocols for labeling proteins and peptides. Standard chemical and biochemical protocols are employed for its use.
|
| Cell Assay |
1-Benzylpyrrole-2,5-dione is used in cell-based assays as a reagent for labeling thiol-containing biomolecules. The compound may be used to modify proteins in cell lysates or to study thiol-dependent processes. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed. The compound itself is not characterized as a pharmacological agent.
|
| Animal Protocol |
1-Benzylpyrrole-2,5-dione is not used in animal studies as a pharmacological agent. Its primary applications are as a chemical building block and bioconjugation reagent. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives may be evaluated in animal models depending on their therapeutic targets.
|
| ADME/Pharmacokinetics |
1-Benzylpyrrole-2,5-dione has a molecular weight of 187.19 g/mol and a molecular formula of C₁₁H₉NO₂. It is a white to off-white crystalline solid. The compound is used as a building block and maleimide reagent in organic synthesis and bioconjugation. It is typically stored under standard laboratory conditions at room temperature, protected from moisture and light.
|
| Toxicity/Toxicokinetics |
1-Benzylpyrrole-2,5-dione is intended for research use only and is not approved for human therapeutic applications. As a chemical building block, comprehensive toxicological data are not available in the publicly accessible literature. The compound may cause skin, eye, and respiratory tract irritation upon exposure. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment.
|
| Additional Infomation |
1-Benzylpyrrole-2,5-dione (N-Benzylmaleimide) (CAS#: 1631-26-1) is a maleimide derivative used as a building block in organic synthesis and as a thiol-reactive reagent for bioconjugation. This compound is not a drug and has not undergone clinical trials.
|
| Molecular Formula |
C11H9NO2
|
|---|---|
| Molecular Weight |
187.19
|
| Exact Mass |
187.063
|
| CAS # |
1631-26-1
|
| PubChem CID |
74204
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
338.8±21.0 °C at 760 mmHg
|
| Melting Point |
70 °C(lit.)
|
| Flash Point |
157.9±14.4 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.625
|
| LogP |
1.78
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
259
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C([H])=C([H])C(N1C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
|
| InChi Key |
MKRBAPNEJMFMHU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
|
| Chemical Name |
1-benzylpyrrole-2,5-dione
|
| 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 | 5.3422 mL | 26.7108 mL | 53.4217 mL | |
| 5 mM | 1.0684 mL | 5.3422 mL | 10.6843 mL | |
| 10 mM | 0.5342 mL | 2.6711 mL | 5.3422 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
