| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
(S)-1-Benzyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate is a synthetic intermediate and does not have a specific biological target. Its role is as a building block for the synthesis of other molecules. The proline scaffold is a common motif in many biologically active compounds, including enzyme inhibitors and receptor modulators. By using this protected proline derivative, researchers can construct complex molecules that may target specific proteins, but the compound itself is not the active agent.
|
|---|---|
| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
The compound is a chemical intermediate and does not possess intrinsic in vitro biological activity. It is not tested in cell-based assays for its own effect. Its value lies in its use for synthesizing other compounds that are then evaluated for biological activity. |
| ln Vivo |
As a synthetic building block, (S)-1-Benzyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate is not intended for in vivo use. It is not a drug candidate and is not administered to animals. Its applications are exclusively in chemical synthesis.
|
| Enzyme Assay |
Cell-free assays are not applicable to this compound. It is not a biologically active molecule and is not used in enzyme or receptor binding studies. Its application is in organic synthesis.
|
| Cell Assay |
No cell-based assays are performed with this compound. As a non-biological chemical intermediate, it is not used to treat cells in culture.
|
| Animal Protocol |
(S)-1-Benzyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate is not used in animal studies. It is a reagent for chemical synthesis, not a drug candidate.
|
| ADME/Pharmacokinetics |
This compound is not a drug and is not subject to pharmacokinetic evaluation. As a chemical intermediate, it has no ADME data.
|
| Toxicity/Toxicokinetics |
The toxicological profile of (S)-1-Benzyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate is not well characterized. Standard safety precautions for handling fine chemicals should be followed. It may cause skin, eye, and respiratory tract irritation. Use appropriate personal protective equipment.
|
| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
|
| Additional Infomation |
This compound is not a drug. It is a valuable research chemical, specifically a protected proline derivative used as a building block in organic synthesis. Its applications are in medicinal chemistry for the synthesis of drug candidates and other bioactive molecules. It is not approved for any clinical use.
|
| Molecular Formula |
C14H15NO5
|
|---|---|
| Molecular Weight |
277.27
|
| Exact Mass |
277.095
|
| CAS # |
16217-15-5
|
| PubChem CID |
11594288
|
| Appearance |
Colorless to light yellow liquid（Density：1.306 g/cm3）
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
422.1±45.0 °C at 760 mmHg
|
| Flash Point |
209.0±28.7 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.559
|
| LogP |
0.64
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
20
|
| Complexity |
389
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C(N1C([H])([H])C(C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])=O)=O
|
| InChi Key |
XRFKZAWVKVORNI-LBPRGKRZSA-N
|
| InChi Code |
InChI=1S/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
|
| Chemical Name |
1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
|
| 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 | 3.6066 mL | 18.0330 mL | 36.0659 mL | |
| 5 mM | 0.7213 mL | 3.6066 mL | 7.2132 mL | |
| 10 mM | 0.3607 mL | 1.8033 mL | 3.6066 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
