| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Peroxisome proliferator-activated receptor gamma (PPARgamma), p21-activated kinase 1 (PAK1), and NF-kappaB. 5-Aminosalicylic acid acts as a specific PPARgamma agonist and inhibits PAK1 and NF-kappaB signaling, thereby reducing the production of pro-inflammatory cytokines (IL-1, IL-6, TNF-alpha).
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
5-Aminosalicylic acid-d3 has the same biological activity as unlabeled 5-ASA. 5-ASA suppresses the production of pro-inflammatory mediators (PGE2, leukotriene B4, IL-1, IL-6, TNF-alpha) in colonic epithelial cells and immune cells. It also acts as a PPARgamma agonist with an EC50 in the low micromolar range. |
| ln Vivo |
Unlabeled 5-ASA is the active metabolite of sulfasalazine and is used clinically for the induction and maintenance of remission in ulcerative colitis and Crohn's disease. 5-ASA-d3 is not administered therapeutically but is used as an internal standard in PK studies.
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| Enzyme Assay |
5-Aminosalicylic acid-d3 (1-100 microM) is spiked into human or animal plasma (100-200 microL). Proteins are precipitated with methanol/acetonitrile containing internal standard. After centrifugation, the supernatant is analyzed by LC-MS/MS in positive ion mode (MRM transitions: 5-ASA-d3 m/z 156 → 110).
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| Cell Assay |
Colonic epithelial cells (e.g., Caco-2, HT-29) or macrophages (RAW 264.7) are treated with 5-Aminosalicylic acid-d3 (0.1-10 mM) for 1-4 hours. Alternatively, it is used as an internal standard. For activity studies, unlabeled 5-ASA is used, and NF-kappaB activation (p65 nuclear translocation) is measured by immunofluorescence or Western blot.
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| Animal Protocol |
Not applicable for internal standard. For pharmacokinetic studies, rats or dogs are administered 5-ASA (20-100 mg/kg, oral or intrarectal). Blood and tissue samples (colon) are collected, spiked with 5-ASA-d3 as internal standard, and analyzed by LC-MS/MS to determine drug concentration and colon tissue distribution.
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| ADME/Pharmacokinetics |
5-ASA is poorly absorbed from the gastrointestinal tract (oral bioavailability 20-40% in humans). Plasma half-life is 0.5-2 hours. It is rapidly acetylated to N-acetyl-5-ASA by N-acetyltransferase (NAT1/NAT2) in the liver and gut mucosa, and excreted in urine. The d3-labeled version behaves identically.
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| Toxicity/Toxicokinetics |
No toxicity; 5-ASA is safe at therapeutic doses (0.5-4.8 g/day in humans). Common adverse effects include nausea, diarrhea, headache, and abdominal pain. Rare but serious toxicities include pancreatitis, nephritis, and pericarditis. The d3-labeled version is safe at tracer levels.
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| References | |
| Additional Infomation |
5-Aminosalicylic acid-d3 is for research use only, not FDA-approved as a therapeutic. Unlabeled 5-ASA (mesalamine) is FDA-approved for the treatment of ulcerative colitis and Crohn's disease (brand names: Asacol, Lialda, Pentasa, Rowasa). The d3-labeled version is a valuable internal standard for therapeutic drug monitoring (TDM) and pharmacokinetic studies of 5-ASA.
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| Molecular Formula |
C7H7NO3
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|---|---|
| Molecular Weight |
153.135381937027
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| Exact Mass |
156.061
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| CAS # |
1309283-32-6
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| Related CAS # |
5-Aminosalicylic Acid;89-57-6;5-Aminosalicylic Acid-d3 hydrochloride;1346601-18-0;5-Aminosalicylic acid-13C6;1189709-96-3
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| PubChem CID |
71750020
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| Appearance |
Off-white to gray solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
403.9±40.0 °C at 760 mmHg
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| Flash Point |
198.1±27.3 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.691
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| LogP |
0.46
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
160
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1N)[2H])C(=O)O)O)[2H]
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| InChi Key |
KBOPZPXVLCULAV-CBYSEHNBSA-N
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| InChi Code |
InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/i1D,2D,3D
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| Chemical Name |
3-amino-2,4,5-trideuterio-6-hydroxybenzoic 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 | 6.5300 mL | 32.6499 mL | 65.2997 mL | |
| 5 mM | 1.3060 mL | 6.5300 mL | 13.0599 mL | |
| 10 mM | 0.6530 mL | 3.2650 mL | 6.5300 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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