| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
A22 hydrochloride targets MreB, an actin-like bacterial protein that is essential for maintaining cell shape and chromosome partitioning in bacteria. MreB forms filaments that determine cell shape and coordinate cell wall synthesis. By interacting with the ATP binding site of MreB rapidly and reversibly, A22 hydrochloride disrupts the bacterial actin cytoskeleton, which can cause an increase in cell permeability and altered transport. This leads to inhibition of bacterial growth.
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| ln Vitro |
In vitro, A22 hydrochloride inhibits MreB, disrupting the bacterial actin cytoskeleton. It prevents normal E. coli rod formation, inhibits chromosome partitioning, and inhibits growth with a minimum inhibitory concentration (MIC) of 3.1 µg/mL. Its activity has been characterized in bacterial cell culture assays. The compound's ability to act as an antibiotic adjuvant has also been demonstrated.
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| ln Vivo |
In vivo, A22 hydrochloride has been shown to act as an antibiotic adjuvant. By disrupting the bacterial actin cytoskeleton and increasing cell permeability, it enhances the efficacy of antibiotics. However, specific in vivo efficacy data from animal models of infection are limited in publicly available sources. The compound is primarily used as a research tool for studying bacterial cell biology.
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| Enzyme Assay |
In non-cell-based biochemical assays, A22 hydrochloride's interaction with MreB is evaluated using biochemical methods. Purified MreB protein is incubated with ATP and varying concentrations of A22 hydrochloride. The compound's ability to inhibit MreB ATPase activity is measured using ATPase assays. Its binding to the ATP binding site of MreB is assessed using competition experiments with fluorescent or radiolabeled ATP analogs.
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| Cell Assay |
In vitro cellular assays for A22 hydrochloride involve testing its effects on bacterial cell cultures. E. coli or other bacterial cells are treated with varying concentrations of A22 hydrochloride, and cell morphology, growth, and viability are assessed. The compound's ability to prevent normal rod formation, inhibit chromosome partitioning, and inhibit growth is quantified by determining the MIC. Its effects on cell permeability and transport are also assessed.
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| Animal Protocol |
In vivo animal studies for A22 hydrochloride have been conducted in models of bacterial infection. The compound is typically administered via intraperitoneal or oral routes, and its effects on bacterial load, survival, and antibiotic efficacy are assessed. As an antibiotic adjuvant, it enhances the efficacy of antibiotics. However, specific protocols and detailed data are limited in publicly available sources.
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| ADME/Pharmacokinetics |
A22 hydrochloride has a molecular weight of 271.59 and a molecular formula of C8H9Cl3N2S. It is a benzylisothiourea compound. The compound interacts with the ATP binding site of MreB rapidly and reversibly. It is soluble in DMSO and should be stored as a powder at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
As a research compound, A22 hydrochloride is not intended for human use and should be handled with appropriate safety precautions. Comprehensive toxicology studies have not been extensively published, but the compound is generally considered safe for laboratory use. It should be stored and handled in accordance with standard laboratory safety guidelines.
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| Additional Infomation |
A22 hydrochloride (MreB Perturbing Compound A22 hydrochloride) is a benzylisothiourea compound that interacts with the ATP binding site of MreB rapidly and reversibly. It is an inhibitor of MreB, an actin-like bacterial protein, and has been shown to act as an antibiotic adjuvant. A22 hydrochloride prevents normal E. coli rod formation, inhibits chromosome partitioning, and inhibits growth (MIC = 3.1 µg/mL). It is a research compound and is not an approved drug.
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| Molecular Formula |
C8H9CL3N2S
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|---|---|
| Molecular Weight |
271.584
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| Exact Mass |
269.955
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| Elemental Analysis |
C, 35.38; H, 3.34; Cl, 39.16; N, 10.32; S, 11.80
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| CAS # |
22816-60-0
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| Related CAS # |
22816-60-0 (HCl);22297-13-8;
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| PubChem CID |
2830968
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| Appearance |
Solid powder
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| Density |
1.47g/cm3
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| Boiling Point |
347.7ºC at 760mmHg
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| Flash Point |
164.1ºC
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| Vapour Pressure |
5.3E-05mmHg at 25°C
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| Index of Refraction |
1.643
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| LogP |
4.722
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
189
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[NH2+]=C(N)SCC1=CC=C(Cl)C(Cl)=C1.[Cl-]
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| InChi Key |
VBJNMXMOMSWRDV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
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| Chemical Name |
S-(3,4-Dichlorobenzyl)isothiourea hydrochloride
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| Synonyms |
A22 hydrochlorideMreB Perturbing Compound A22
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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 : ≥ 20 mg/mL (~73.64 mM)
DMF :≥ 20 mg/mL (~73.64 mM) Ethanol :≥ 1 mg/mL (~3.68 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 | 3.6822 mL | 18.4108 mL | 36.8216 mL | |
| 5 mM | 0.7364 mL | 3.6822 mL | 7.3643 mL | |
| 10 mM | 0.3682 mL | 1.8411 mL | 3.6822 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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