| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary target of Antiulcer Agent 1 is not definitively established in the available literature. As a 2-(3,4-dimethoxyphenyl)ethylamine derivative, it may interact with receptors or enzymes involved in gastric acid secretion or mucosal protection. Its mechanism of action is likely related to the modulation of pathways involved in gastric ulcer formation and healing, consistent with its designation as an antiulcer agent.
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|---|---|
| ln Vitro |
In vitro activity data for Antiulcer Agent 1 are limited, as the compound is in the exploratory stage of development. Its chemical properties and structure suggest it may have activity in assays related to gastric acid secretion or mucosal protection. As a 2-(3,4-dimethoxyphenyl)ethylamine derivative, it may exhibit pharmacological activities similar to other compounds in this class. Further in vitro studies are needed to characterize its specific activities.
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| ln Vivo |
Excipients used in oral dose forms are incompatible with the hydrochloride salt form. Free base exists in several crystal forms, including α-anhydrate, β-anhydrate, monohydrate, and trihydrate. Trihydrate form exhibits instability. Controlling β-anhydrous crystallinity is a challenging task. It is challenging to generate the monohydrate form in a constant quality. Rats' serum concentrations of the substance almost exactly matched the pace at which the discs broke down in JP 1st disintegration medium. The lowest quantities of α-anhydride are found in serum [1].
In vivo, Antiulcer Agent 1 is an orally administered compound in the exploratory stage of new drug development. It is being evaluated for potential antiulcer activity. Its oral route of administration suggests it is designed for systemic absorption and therapeutic effect in the gastrointestinal tract. In vivo efficacy studies would involve animal models of gastric ulceration, such as ethanol-induced or stress-induced ulcer models. |
| Enzyme Assay |
In vitro assays for Antiulcer Agent 1 would typically involve screening for antiulcer activity using cell-based models of gastric mucosal protection or acid secretion. Gastric epithelial cell lines may be used to assess cytoprotective effects against damage induced by ethanol, NSAIDs, or other ulcerogenic agents. The compound would be tested at various concentrations to determine its protective efficacy and potential cytotoxicity.
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| Cell Assay |
Cellular assays for Antiulcer Agent 1 are likely performed using gastric epithelial cell lines such as GES-1 or primary gastric mucosal cells. Cells are treated with compound concentrations ranging from 0.1 to 100 µM, followed by exposure to ulcerogenic agents (e.g., ethanol, indomethacin). Cell viability is assessed using MTT or LDH release assays. Prostaglandin E2 (PGE2) levels and inflammatory cytokine production may also be measured.
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| Animal Protocol |
In vivo animal studies for Antiulcer Agent 1 would be conducted in rodent models of gastric ulceration. Standard protocols include ethanol-induced gastric ulcer models, stress-induced ulcer models, or NSAID-induced ulcer models. The compound is administered orally at varying doses. Endpoints include ulcer index (measured as the area or number of gastric lesions), gastric juice volume, pH, and histopathological evaluation of gastric mucosa.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Antiulcer Agent 1 are not well characterized. The compound has a molecular weight of 357.40 and a molecular formula of C₁₉H₂₃N₃O₄. It is intended for oral administration, suggesting it has reasonable oral bioavailability. Standard PK studies in rodents would be required to determine absorption, distribution, metabolism, and excretion parameters.
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| Toxicity/Toxicokinetics |
Toxicological data for Antiulcer Agent 1 are limited. As a compound in the exploratory stage of development, its safety profile has not been fully established. Standard toxicity screening would involve acute and repeated-dose studies in rodents with evaluation of clinical signs, body weight, hematology, clinical chemistry, and histopathological examination of major organs.
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| References |
[1]. Morita M, et al. Preliminary preformulation studies of a 2-(3,4-dimethoxyphenyl)ethylamine derivative for oral administration at an exploratory stage of new drug development. Chem Pharm Bull (Tokyo). 1995 Mar;43(3):476-82.
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| Additional Infomation |
Antiulcer Agent 1 is a 2-(3,4-dimethoxyphenyl)ethylamine derivative in the exploratory stage of development for oral administration. It has a molecular weight of 357.40 and formula C₁₉H₂₃N₃O₄. It is being investigated for potential antiulcer activity. It is not clinically approved.
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| Molecular Formula |
C19H23N3O4
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|---|---|
| Molecular Weight |
357.403624773026
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| Exact Mass |
357.168
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| CAS # |
76001-09-7
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| PubChem CID |
156651
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
26
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| Complexity |
460
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=C(C=C(C=C1)CCNC(=O)CNC2=CC=CC(=C2)C(=O)N)OC
|
| InChi Key |
KZOFCELNVLSKGC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H23N3O4/c1-25-16-7-6-13(10-17(16)26-2)8-9-21-18(23)12-22-15-5-3-4-14(11-15)19(20)24/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,20,24)(H,21,23)
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| Chemical Name |
3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide
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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 | 2.7980 mL | 13.9899 mL | 27.9799 mL | |
| 5 mM | 0.5596 mL | 2.7980 mL | 5.5960 mL | |
| 10 mM | 0.2798 mL | 1.3990 mL | 2.7980 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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