| Size | Price | |
|---|---|---|
| 100mg | ||
| Other Sizes |
| Targets |
3-(3,4-Dimethoxyphenyl)propanoic acid targets pathways involved in erythropoiesis and hemoglobin gene expression. The compound promotes γ-globulin gene expression in vivo, which is relevant for the treatment of β-hemoglobinopathies such as sickle cell disease and β-thalassemia. As a short-chain fatty acid (SCFA), it may also interact with G-protein coupled receptors (GPCRs) and histone deacetylases (HDACs) involved in gene regulation. Its mechanism involves modulation of gene expression and stimulation of erythropoiesis, making it a potential therapeutic agent for anemia.
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| ln Vitro |
3-(3,4-Dimethoxyphenyl)propanoic acid exhibits in vitro activity as a short-chain fatty acid (SCFA). It promotes erythropoiesis and γ-globulin gene expression in cell-based assays. The compound’s activity is assessed by measuring hemoglobin production and globin gene expression in erythroid progenitor cells. It is also used as a standard in metabolomics studies to identify and quantify phenolic metabolites in biological samples. These in vitro activities confirm its potential as a research tool for studying hemoglobinopathies and anemia.
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| ln Vivo |
After a single dosage of 50–150 mg, 3-(3,4-Dimethoxyphenyl)propionic acid (50, 150 mg/kg IV or 50, 150, 200 mg/kg PO) is attained within hours. Concentrations were noticeably higher than target plasma levels. Dosage per kilogram[1].
In vivo activity of 3-(3,4-Dimethoxyphenyl)propanoic acid has been demonstrated in animal models. The compound promotes γ-globulin gene expression and erythropoiesis in vivo. It is orally active, making it suitable for convenient administration. The compound’s effects on hemoglobin production and red blood cell formation have been studied in the context of β-hemoglobinopathies and other anemias. As a circulating coffee metabolite, it may also contribute to the health benefits of coffee consumption. |
| Enzyme Assay |
In vitro assays for 3-(3,4-Dimethoxyphenyl)propanoic acid are typically analytical rather than enzyme-based. The compound is used as a standard in HPLC or LC-MS for the quantification of phenolic metabolites in biological samples. Its effects on erythropoiesis are assessed in erythroid progenitor cell cultures by measuring hemoglobin production and globin gene expression. These assays confirm the compound’s activity as an inducer of γ-globulin gene expression and erythropoiesis.
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| Cell Assay |
In vitro cellular assays for 3-(3,4-Dimethoxyphenyl)propanoic acid are conducted in erythroid progenitor cells or other hematopoietic cell lines. Cells are treated with the compound at various concentrations, and hemoglobin production is measured by spectrophotometry or flow cytometry. Globin gene expression is measured by qPCR. Cell proliferation and differentiation are assessed by flow cytometry using cell surface markers. These assays characterize the compound’s effects on erythropoiesis and gene expression.
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| Animal Protocol |
In vivo animal experiments with 3-(3,4-Dimethoxyphenyl)propanoic acid are conducted in mouse models of β-hemoglobinopathies or anemia. The compound is administered orally at varying doses. Hemoglobin levels, red blood cell counts, and reticulocyte counts are measured. Globin gene expression is assessed in bone marrow and peripheral blood. These studies evaluate the compound’s efficacy in promoting erythropoiesis and treating anemia.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-(3,4-Dimethoxyphenyl)propanoic acid indicate that the compound is orally active. It is a circulating coffee metabolite in human plasma, suggesting that it is absorbed after ingestion. The compound has a molecular weight of 210.23 and is soluble in organic solvents. Its half-life and bioavailability have not been extensively characterized. The compound is typically stored at room temperature. Further PK studies would be needed for therapeutic development.
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| Toxicity/Toxicokinetics |
3-(3,4-Dimethoxyphenyl)propanoic acid is considered to have low toxicity based on its occurrence as a natural metabolite from coffee consumption. It is produced endogenously from dietary sources and is present in human plasma. No significant adverse effects have been reported from its consumption. The compound is intended for research use and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound as a pure chemical.
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| References |
[1]. Pace BS, et al. Short-chain fatty acid derivatives induce fetal globin expression and erythropoiesis in vivo. lood. 2002 Dec 15;100(13):4640-8.
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| Additional Infomation |
3-(3,4-Dimethoxyphenyl)propionic acid is a monocarboxylic acid, formed by substituting propionic acid at the 3-position with 3,4-dimethoxyphenyl. It is both a monocarboxylic acid and a dimethoxyphenyl compound. Its function is related to that of propionic acid. 3-(3,4-Dimethoxyphenyl)propionic acid has been reported in Stellaria dichotoma, and relevant data are available for reference.
3-(3,4-Dimethoxyphenyl)propanoic acid is a circulating coffee metabolite and an orally active short-chain fatty acid (SCFA). It promotes γ-globulin gene expression and erythropoiesis in vivo and can be used in the study of β-hemoglobinopathies and other anemias. The compound is also known as 3,4-dimethoxyhydrocinnamic acid. It is available in high purity (>98%) for research applications. Its role as a coffee metabolite and its effects on erythropoiesis make it of interest in nutrition and hematology research. |
| Molecular Formula |
C₁₁H₁₄O₄
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|---|---|
| Molecular Weight |
210.23
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| Exact Mass |
210.089
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| CAS # |
2107-70-2
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| Related CAS # |
3-(3,4-Dimethoxyphenyl)propanoic acid-d10;1398065-72-9
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| PubChem CID |
75019
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
344.2±27.0 °C at 760 mmHg
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| Melting Point |
96-97 °C(lit.)
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| Flash Point |
132.0±17.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.522
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| LogP |
1.58
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
15
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| Complexity |
205
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1=C(C([H])=C([H])C(=C1[H])C([H])([H])C([H])([H])C(=O)O[H])OC([H])([H])[H]
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| InChi Key |
LHHKQWQTBCTDQM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
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| Chemical Name |
3-(3,4-dimethoxyphenyl)propanoic acid
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| Synonyms |
3(3,4Dimethoxyphenyl)propanoic acid; 3 (3,4 Dimethoxyphenyl)propanoic 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 (~475.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 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 (11.89 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 (11.89 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 | 4.7567 mL | 23.7835 mL | 47.5670 mL | |
| 5 mM | 0.9513 mL | 4.7567 mL | 9.5134 mL | |
| 10 mM | 0.4757 mL | 2.3783 mL | 4.7567 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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