| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 1g |
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| Other Sizes |
| Targets |
As an amino acid derivative, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-enoic acid does not have a defined primary drug target. Its role is as a synthetic intermediate in peptide synthesis. The final peptide products synthesized from this building block may target various enzymes, receptors, or proteins depending on their sequence and structure. Alpha-methylation can stabilize peptides against proteolysis and influence their conformation. However, the building block itself is not known to directly bind to or modulate any specific protein.
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| 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].
In vitro activity data for (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-enoic acid is primarily related to its role as a chemical precursor. It does not exhibit intrinsic pharmacological activity in cell-free or cell-based assays. The compound is used in vitro to synthesize peptides that are then evaluated for biological activity. Amino acid derivatives like this one have been commercially used as ergogenic supplements, where they affect the release of anabolic hormones and fuel availability. However, the specific in vitro activity of this protected alpha-methylallylalanine derivative has not been characterized beyond its utility in peptide synthesis. |
| ln Vivo |
There is no reported in vivo activity for (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-enoic acid as it is not a drug substance. The compound is used exclusively in research settings for the chemical synthesis of peptides. Any in vivo effects would be attributed to the final peptide products synthesized using this building block, rather than the building block itself. As a protected amino acid, it is not administered to animals for pharmacological evaluation. Its role is confined to the laboratory.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-enoic acid as it is not a biologically active compound. However, a general protocol for assessing the binding affinity of peptides synthesized from this building block could involve radioligand binding assays. In such an assay, increasing concentrations of the test peptide are incubated with a membrane preparation containing the target receptor and a fixed concentration of a radiolabeled ligand. After incubation, the mixture is filtered to separate bound from free ligand, and the radioactivity is measured. This approach is standard for evaluating receptor-ligand interactions for peptide-based drug candidates.
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| Cell Assay |
The compound is not used in cell-based assays as a test compound. It serves as a reagent for peptide synthesis. A typical cell-based assay would involve the final peptide product. For example, a cell viability assay could be performed using cultured cancer cells to evaluate the anti-proliferative effects of a peptide synthesized from this building block. Cells are seeded in 96-well plates and treated with various concentrations of the peptide for 24-72 hours. Cell viability is then assessed using a standard assay such as MTT or CCK-8. This protocol is common for evaluating the bioactivity of peptide-based drug candidates.
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| Animal Protocol |
In vivo animal experiments are not performed with this compound itself. The compound is a research chemical used exclusively for peptide synthesis. If a peptide drug candidate synthesized from this building block were to be evaluated in vivo, a typical protocol might involve administering the peptide to mice via a suitable route. For example, in a disease model, mice would be treated with the peptide, and relevant biomarkers or disease progression would be monitored to assess efficacy. However, this would apply to the final peptide, not the protected amino acid.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties have not been characterized as it is not a drug candidate. The compound is intended for research use only. As a synthetic intermediate, its ADME profile is not relevant. The compound is typically stored at -20°C. Any pharmacokinetic studies would be performed on the final peptide products.
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| Toxicity/Toxicokinetics |
The toxicity profile has not been extensively studied. The compound is classified for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed. General toxicity data for amino acid derivatives suggest low acute toxicity, but specific toxicological information is not available.
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| References | |
| Additional Infomation |
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-enoic acid is an alpha-methylated amino acid derivative used as a building block in peptide synthesis. It is not a drug and has no approved therapeutic indications. The compound is commercially available for research purposes only.
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| Molecular Formula |
C21H21NO4
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|---|---|
| Molecular Weight |
351.40
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| Exact Mass |
351.147
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| CAS # |
288617-76-5
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| PubChem CID |
51885239
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| Appearance |
White to off-white solid powder
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| Density |
1.224
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| Boiling Point |
325.767ºC at 760 mmHg
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| Flash Point |
150.819ºC
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| Vapour Pressure |
0mmHg at 25°C
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| Index of Refraction |
1.595
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| LogP |
4.335
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
26
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| Complexity |
526
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C(N([H])[C@](C(=O)O[H])(C([H])([H])[H])C([H])([H])C([H])=C([H])[H])=O)C([H])([H])C1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12
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| InChi Key |
FNCSRFHDUZYOCR-OAQYLSRUSA-N
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| InChi Code |
InChI=1S/C21H21NO4/c1-3-12-21(2,19(23)24)22-20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h3-11,18H,1,12-13H2,2H3,(H,22,25)(H,23,24)/t21-/m1/s1
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| Chemical Name |
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-enoic acid
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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 |
| 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) |
DMSO: 100 mg/mL (284.58 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.11 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
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 (7.11 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8458 mL | 14.2288 mL | 28.4576 mL | |
| 5 mM | 0.5692 mL | 2.8458 mL | 5.6915 mL | |
| 10 mM | 0.2846 mL | 1.4229 mL | 2.8458 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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