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| Other Sizes |
| Targets |
trans-3-(3-Pyridyl)acrylic acid does not have a defined biological target as it is primarily a chemical intermediate and ligand. Its derivatives, such as aminomethyl benzimidazoles prepared from it, act as inhibitors of gelatinase B (matrix metalloproteinase-9). As a bifunctional ligand, it can coordinate with metal ions to form coordination polymers.
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|---|---|
| ln Vitro |
In cell-free biochemical systems, this compound is used as a synthetic intermediate rather than a bioactive molecule. Its derivatives, aminomethyl benzimidazoles, act as inhibitors of gelatinase B. The compound can also act as a bifunctional ligand to form 3D heterometallic coordination polymers with luminescence properties.
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| ln Vivo |
This compound does not exhibit direct cellular activity as it is primarily a chemical intermediate. Its derivatives may have biological activity as gelatinase B inhibitors. The compound itself is used for chemical synthesis and materials science applications rather than for direct biological studies.
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| Enzyme Assay |
The cell-free assay for this compound typically involves its use as a starting material in organic synthesis. For gelatinase B inhibition studies using its derivatives, the assay involves incubating purified gelatinase B enzyme with a fluorogenic substrate and the inhibitor. The reduction in enzymatic activity is measured spectrofluorometrically. The IC50 is determined from dose-response curves.
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| Cell Assay |
No cell-based experimental protocols are directly applicable to trans-3-(3-Pyridyl)acrylic acid as it is a chemical synthesis reagent. Its derivatives may be evaluated in cell culture experiments for gelatinase B inhibition. Typical protocols involve culturing relevant cell lines and treating them with the compound, followed by assessment of cell invasion, migration, or matrix degradation.
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| Animal Protocol |
trans-3-(3-Pyridyl)acrylic acid is not administered to animals as it is a chemical intermediate. Its derivatives may be evaluated in animal models for gelatinase B inhibition in diseases such as cancer or arthritis. Typical studies involve administration of the compound to mice via oral or intraperitoneal routes. Disease progression, tumor growth, and tissue remodeling are assessed.
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| ADME/Pharmacokinetics |
As a chemical reagent, this compound does not have established pharmacokinetic properties. It is used in vitro for chemical synthesis and materials science applications. The compound is typically stored at room temperature under inert conditions. It is not intended for therapeutic use and is not administered systemically.
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| Toxicity/Toxicokinetics |
The compound is not intended for therapeutic use and lacks established toxicity profiles. Standard laboratory safety precautions should be observed when handling this chemical reagent. As a carboxylic acid and pyridine derivative, it may cause skin and eye irritation. The compound is for research use only and is not for human therapeutic applications.
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| References | |
| Additional Infomation |
trans-3-(3-Pyridyl)acrylic acid is a research-grade chemical supplied as a synthetic intermediate. It is not an approved pharmaceutical and has no clinical trial history. The compound is used to prepare aminomethyl benzimidazoles as inhibitors of gelatinase B and as an organic linker for coordination polymers. This product is intended for research use only.
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| Molecular Formula |
C8H7NO2
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|---|---|
| Molecular Weight |
149.15
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| Exact Mass |
149.047
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| CAS # |
19337-97-4
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| PubChem CID |
776396
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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 |
307.6±17.0 °C at 760 mmHg
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| Melting Point |
232-235ºC
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| Flash Point |
139.8±20.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.625
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| LogP |
1.17
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
166
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CN=C1)/C=C/C(=O)O
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| InChi Key |
VUVORVXMOLQFMO-ONEGZZNKSA-N
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| InChi Code |
InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+
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| Chemical Name |
(E)-3-pyridin-3-ylprop-2-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) |
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
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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 | 6.7047 mL | 33.5233 mL | 67.0466 mL | |
| 5 mM | 1.3409 mL | 6.7047 mL | 13.4093 mL | |
| 10 mM | 0.6705 mL | 3.3523 mL | 6.7047 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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