| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
BChE 2 μM (IC50) AChE 17 μM (IC50) MAO-A 2 μM (IC50)
Desoxypeganine targets butyrylcholinesterase (BChE), acetylcholinesterase (AChE), and monoamine oxidase A (MAO-A). It shows preferential inhibition of BChE (IC50 = 2 μM) over AChE (IC50 = 17 μM) and is a selective inhibitor of MAO-A but not MAO-B. By inhibiting these enzymes, it modulates cholinergic and monoaminergic neurotransmission. |
|---|---|
| ln Vitro |
In vitro, Desoxypeganine demonstrates inhibitory activity against BChE with an IC50 of 2 μM and against AChE with an IC50 of 17 μM. It also selectively inhibits MAO-A, with no significant effect on MAO-B. This dual inhibition profile makes it a unique compound for studying the interplay between cholinergic and monoaminergic systems in the brain.
|
| ln Vivo |
The administration of desoxypeganine (10-30 mg/kg) once day for 16 days via gavage lowers ethanol intake and preference in a dose-dependent manner[1].
In vivo, Desoxypeganine is being investigated for its potential to reduce craving and depression in alcohol abusers, and it may also be useful as a smoking cessation aid. The compound has advanced to Phase I clinical trials, where its tolerance and pharmacokinetics after single oral doses have been studied. This indicates progress toward potential therapeutic applications. |
| Enzyme Assay |
Non-cell-based assays to evaluate Desoxypeganine involve incubating the compound with the respective enzymes (BChE, AChE, or MAO-A) and their specific substrates. For cholinesterases, the Ellman's method is commonly used, where the hydrolysis of acetylthiocholine or butyrylthiocholine is monitored spectrophotometrically. For MAO-A inhibition, a fluorometric assay using kynuramine as a substrate can be employed to determine the IC50 values.
|
| Cell Assay |
In vitro cellular assays for Desoxypeganine could involve treating neuronal cell lines with the compound and measuring its effects on cholinesterase activity within the cells or on the levels of neurotransmitters like serotonin. However, the primary characterization of its activity is typically performed using cell-free enzyme assays to determine its potency and selectivity for the different targets.
|
| Animal Protocol |
Animal/Disease Models: Female Alko alcohol (AA) rats (Thirty eight adult)[1]
Doses: 10, 20, 30 mg/kg Route of Administration: Gavage, one time/day in a volume of 10 ml/kg at 6:00 pm, for 16 days Experimental Results: Abolished ethanol preference. In vivo animal studies have likely been conducted to support its development for alcohol abuse. These would involve administering Desoxypeganine to animal models of alcohol dependence and assessing its effects on alcohol consumption, withdrawal symptoms, and related behaviors. Results from such studies have led to its advancement to Phase I clinical trials in humans. |
| ADME/Pharmacokinetics |
Desoxypeganine has a molecular weight of 172.23 g/mol and a molecular formula of C11H12N2. It is soluble in DMSO up to 10 mM. The powder should be stored at -20°C for up to 3 years, and in solvent at -80°C for up to 1 year. It is available for research use only and should be handled with appropriate safety precautions.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Desoxypeganine is not fully detailed in the provided search results. However, it has progressed to Phase I clinical trials, indicating an acceptable preliminary safety profile for human testing. Standard safety assessments, including acute and repeated-dose toxicity studies, would have been conducted as part of its preclinical development.
|
| References |
|
| Additional Infomation |
Deoxypeganine is a member of the quinazoline class. Deoxypeganine has been reported in Nitraria tangutorum, Alternanthera philoxeroides, and Alternanthera philoxeroides, and available data are available.
Desoxypeganine (CAS#: 495-59-0) is a natural quinazoline alkaloid with a unique pharmacological profile, acting as an inhibitor of BChE and a selective MAO-A inhibitor. Its development for alcohol abuse highlights its potential as a therapeutic agent. The compound's mechanism of action suggests it could modulate both cholinergic and serotonergic pathways, making it a valuable research tool and a promising drug candidate. |
| Molecular Formula |
C11H12N2
|
|---|---|
| Molecular Weight |
172.23
|
| Exact Mass |
172.1
|
| CAS # |
495-59-0
|
| Related CAS # |
61939-05-7 (hydrochloride)
|
| PubChem CID |
442894
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.23g/cm3
|
| Boiling Point |
311.6ºC at 760mmHg
|
| Melting Point |
96.5-97.5 °C
|
| Flash Point |
142.3ºC
|
| LogP |
1.699
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
13
|
| Complexity |
234
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C2C(=C1)CN3CCCC3=N2
|
| InChi Key |
WUFQLZTXIWKION-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2
|
| Chemical Name |
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 5.8062 mL | 29.0309 mL | 58.0619 mL | |
| 5 mM | 1.1612 mL | 5.8062 mL | 11.6124 mL | |
| 10 mM | 0.5806 mL | 2.9031 mL | 5.8062 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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