| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
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| Targets |
(±)-Vasicine targets multiple molecular pathways. It significantly inhibits H+-K+-ATPase activity with an IC50 of 73.47 μg/mL, which contributes to its anti-ulcer activity by reducing gastric acid secretion. It inhibits butyrylcholinesterase (BuChE) with an IC50 of 2.6 μM. The compound exhibits antioxidant activity by scavenging free radicals, as demonstrated in DPPH inhibition assays with an IC50 of 71.97 μg/mL. Its antimycobacterial activity suggests interactions with bacterial targets. Vasicine acetate, a derivative, has shown significant antioxidant activity and cytotoxic effects against cancer cell lines such as A549 lung adenocarcinoma cells.
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| ln Vitro |
In the DPPH inhibition assay, vasicine (peganine) demonstrates potent antioxidant activity, with an IC50 value of 71.97±3.79 μg/mL[1].
In vitro, (±)-Vasicine has demonstrated multiple biological activities. It inhibits BuChE with an IC50 of 2.6 μM. In the DPPH inhibition assay, it demonstrated potent antioxidant activity with an IC50 of 71.97 μg/mL. Vasicine significantly inhibits H+-K+-ATPase activity with an IC50 of 73.47 μg/mL, contributing to its anti-ulcer activity. Vasicine acetate has demonstrated strong antimycobacterial activity against Mycobacterium tuberculosis, including multi-drug-resistant strains, and significant cytotoxic effects against cancer cell lines such as the A549 lung adenocarcinoma cell line. |
| ln Vivo |
In vivo, Vasicine has demonstrated anti-ulcer activity through its antisecretory, antioxidant, and cytoprotective properties. Its significant inhibition of H+-K+-ATPase activity contributes to reduced gastric acid secretion and mucosal protection. The compound's multifaceted pharmacological effects make it a promising candidate for further research in gastrointestinal and antioxidant therapies. Its antimycobacterial activity suggests potential for treating tuberculosis, including drug-resistant strains. However, detailed in vivo efficacy and safety data for (±)-Vasicine specifically are described in the primary literature.
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| Enzyme Assay |
For in vitro biochemical assays, (±)-Vasicine is evaluated for its enzyme inhibitory and antioxidant activities. H+-K+-ATPase inhibition is measured using enzyme activity assays with appropriate substrates, determining IC50 values. BuChE inhibition is assessed using Ellman's assay, with an IC50 of 2.6 μM. Antioxidant activity is measured using DPPH, ABTS, or FRAP assays, with an IC50 of 71.97 μg/mL for DPPH inhibition. Antimycobacterial activity is assessed using broth microdilution methods to determine MIC against M. tuberculosis strains. These cell-free and cell-based assays help characterize the compound's multiple biological activities.
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| Cell Assay |
In vitro cellular assays for (±)-Vasicine are performed using various cell types. For anti-ulcer studies, gastric epithelial cells or H+-K+-ATPase-expressing cells are used. Cells are cultured in standard media and treated with the compound at various concentrations. H+-K+-ATPase activity is measured in cell lysates. For antioxidant studies, cells are treated with the compound and oxidative stress markers are measured. For anticancer studies, cancer cell lines such as A549 lung adenocarcinoma cells are used, and cell viability is assessed using MTT or SRB assays. Apoptosis is evaluated by measuring caspase activity and Annexin V/PI staining. These cellular assays help validate the compound's enzyme inhibitory, antioxidant, and anticancer activities.
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| Animal Protocol |
In vivo animal experiments with (±)-Vasicine are conducted to study its anti-ulcer and antimycobacterial activities. For anti-ulcer studies, rodent models of gastric ulcer are commonly used. The compound is administered via oral gavage. Efficacy endpoints include ulcer index, gastric acid secretion, and gastric mucosal protection. For antimycobacterial studies, mouse models of tuberculosis infection are used. The compound is administered via various routes. Efficacy endpoints include bacterial load reduction in lungs and survival. The compound's safety and tolerability are monitored through body weight, clinical signs, and histopathology. Researchers should consult the primary literature for detailed protocols.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (±)-Vasicine have been partially characterized. As a quinazoline alkaloid with a molecular weight of 188.23, it is expected to have moderate oral bioavailability. The compound is soluble in DMSO (13 mg/mL). Detailed PK parameters such as half-life, Cmax, Tmax, AUC, and protein binding are not extensively documented. The compound should be stored as a powder at -20°C for up to three years and in solution at -80°C for up to one year. Researchers should consult the primary literature for any available pharmacokinetic data.
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| Toxicity/Toxicokinetics |
The toxicological profile of (±)-Vasicine is not extensively characterized. As a natural alkaloid, it may have dose-dependent toxicity at high concentrations. The compound is intended for research use only and not for human therapeutic applications. Comprehensive toxicity studies including acute, subchronic, and chronic toxicity assessments are limited. Researchers should follow standard laboratory safety practices when handling (±)-Vasicine. Its effects at high concentrations and potential interactions with other drugs or compounds have not been fully investigated. The compound's antimycobacterial and anticancer activities suggest selectivity for pathogens and cancer cells, but cytotoxicity should be assessed for specific applications.
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| References | |
| Additional Infomation |
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline-3-ol is a member of the quinazoline class of compounds.
(±)-Vasicine is a valuable research tool for studying H+-K+-ATPase inhibition, cholinesterase inhibition, and antioxidant activity. Its anti-ulcer activity through H+-K+-ATPase inhibition makes it useful for investigating gastric acid secretion and developing new treatments for peptic ulcers. Its BuChE inhibition (IC50 = 2.6 μM) provides opportunities for studying cholinergic signaling and developing treatments for neurological disorders. The compound's antimycobacterial activity against drug-resistant M. tuberculosis makes it relevant for tuberculosis research. Its antioxidant and cytotoxic properties are useful for studying oxidative stress and cancer. As a racemic mixture, it is also used in stereochemistry studies. |
| Molecular Formula |
C11H12N2O
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|---|---|
| Molecular Weight |
188.2258
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| Exact Mass |
188.094
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| CAS # |
6159-56-4
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| Related CAS # |
Vasicine hydrochloride; 7174-27-8; Vasicine; 6159-55-3
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| PubChem CID |
72610
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| Appearance |
White to off-white solid
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
373.8±52.0 °C at 760 mmHg
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| Melting Point |
211 °C
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| Flash Point |
179.9±30.7 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.709
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| LogP |
-1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
14
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| Complexity |
264
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C1([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3C([H])([H])N2C([H])([H])C1([H])[H]
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| InChi Key |
YIICVSCAKJMMDJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2
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| Chemical Name |
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~16.67 mg/mL (~88.56 mM)
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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 | 5.3126 mL | 26.5632 mL | 53.1265 mL | |
| 5 mM | 1.0625 mL | 5.3126 mL | 10.6253 mL | |
| 10 mM | 0.5313 mL | 2.6563 mL | 5.3126 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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