| Size | Price | |
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| Other Sizes |
| Targets |
As an amino acid derivative, 3-(2-Thienyl)-D-alanine does not have a defined primary drug target. Its role is as a synthetic intermediate in peptide synthesis, and the final peptide products incorporating this thienylalanine residue may target various enzymes, receptors, or proteins depending on their sequence and structure. The thiophene ring can introduce unique electronic and steric properties into peptides, potentially modulating their interactions with biological targets. However, the building block itself is not known to directly bind to or modulate any specific protein or enzyme.
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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 3-(2-Thienyl)-D-alanine 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, the availability of fuel for activity, and the prevention of muscular damage brought on by exertion. However, the specific in vitro activity of this thienylalanine derivative has not been characterized beyond its utility in peptide synthesis. |
| ln Vivo |
There is no reported in vivo activity for 3-(2-Thienyl)-D-alanine 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 non-proteinogenic amino acid, it is not administered to animals for pharmacological evaluation. Its role is confined to the laboratory, where it serves as a key intermediate in the production of more complex molecules that may subsequently undergo in vivo testing.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to 3-(2-Thienyl)-D-alanine 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. Non-specific binding is determined in the presence of an excess of unlabeled ligand. This approach is standard for evaluating receptor-ligand interactions for peptide-based drug candidates.
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| Cell Assay |
3-(2-Thienyl)-D-alanine is not used in cell-based assays as a test compound. The compound 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, measuring the absorbance at 490 nm or 450 nm, respectively. 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 3-(2-Thienyl)-D-alanine 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 intravenous, intraperitoneal, or oral routes. For example, in a xenograft tumor model, mice bearing subcutaneous tumors would be treated with the peptide daily for a set period, and tumor volume and body weight would be monitored to assess anti-tumor efficacy and tolerability. However, this would apply to the final peptide, not the protected amino acid.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-(2-Thienyl)-D-alanine have not been characterized as it is not a drug candidate. The compound is intended for research use only and is not developed for therapeutic applications. As a synthetic intermediate, its absorption, distribution, metabolism, and excretion (ADME) profile is not relevant to its intended use. The compound is typically stored as a powder at -20°C for up to 3 years or in solution at -80°C for up to 6 months to maintain stability. Solubility data indicates it is soluble in water at ≥ 5 mg/mL (29.20 mM). Any pharmacokinetic studies would be performed on the final peptide products synthesized using this building block.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3-(2-Thienyl)-D-alanine has not been extensively studied, as it is a research chemical and not a pharmaceutical drug. The compound is classified for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of personal protective equipment. General toxicity data for amino acid derivatives suggest low acute toxicity, but specific toxicological information for this compound is not available in the literature. Chronic toxicity, carcinogenicity, and reproductive toxicity studies have not been conducted.
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| References | |
| Additional Infomation |
β-(2-thienyl)-D-alanine is a derivative of D-alanine, in which one of the methyl hydrogen atoms is replaced by a 2-thienyl group. It is a D-α-amino acid belonging to the thiophene class of compounds. Functionally, it is related to D-alanine.
3-(2-Thienyl)-D-alanine is a synthetic amino acid derivative used as a research tool in peptide synthesis. It is not a drug and has no approved therapeutic indications or clinical trial history. The compound is commercially available from various chemical suppliers for research purposes only. Its primary application is in the field of medicinal chemistry for the preparation of thiophene-containing peptides and peptidomimetics. The thiophene ring can influence the conformational and electronic properties of peptides, potentially modulating their biological activity. It is also known as D-2-Thienylalanine or H-β-(2-Thienyl)-D-Ala-OH. |
| Molecular Formula |
C7H9NO2S
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|---|---|
| Molecular Weight |
171.22
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| Exact Mass |
171.035
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| CAS # |
62561-76-6
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| PubChem CID |
7111750
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| Appearance |
Off-white to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
315.9±32.0 °C at 760 mmHg
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| Flash Point |
144.9±25.1 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.608
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| LogP |
0.79
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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 |
3
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| Heavy Atom Count |
11
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| Complexity |
151
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C1=CSC(=C1)C[C@H](C(=O)O)N
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| InChi Key |
WTOFYLAWDLQMBZ-ZCFIWIBFSA-N
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| InChi Code |
InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
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| Chemical Name |
(2R)-2-amino-3-thiophen-2-ylpropanoic 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) |
H2O: ≥ 5 mg/mL (29.20 mM)
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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 | 5.8404 mL | 29.2022 mL | 58.4044 mL | |
| 5 mM | 1.1681 mL | 5.8404 mL | 11.6809 mL | |
| 10 mM | 0.5840 mL | 2.9202 mL | 5.8404 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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