| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
IC50: 2.086 µM (ecMetAP)[1]
ecMetAP-IN-1 specifically targets E. coli methionine aminopeptidase (ecMetAP), a metalloprotease essential for bacterial protein maturation and survival. It has an IC50 of 2.086 µM against ecMetAP. It also shows activity against human MetAP2 in Sf9 cells with an IC50 of 7.7 µM, indicating cross-species inhibition. |
|---|---|
| ln Vitro |
ecMetAP-IN-1 demonstrates potent inhibitory activity against ecMetAP with an IC50 of 2.086 µM. It exhibits significant anti-inflammatory activity in vivo, with 35.0% inhibition in carrageenan-induced rat paw edema at 100 mg/kg after 3 hours when administered orally. It shows QSAR-based anticancer potential as a methionine aminopeptidase inhibitor.
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| ln Vivo |
In vivo, ecMetAP-IN-1 shows significant anti-inflammatory activity in the carrageenan-induced rat paw edema model. Oral administration at 100 mg/kg results in 35.0% inhibition of paw edema after 3 hours. The compound is used for investigating bacterial pathogenicity and E. coli infections. Its in vivo efficacy supports research in antimicrobial strategies.
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| Enzyme Assay |
Cell-free enzyme assays for ecMetAP-IN-1: ecMetAP enzyme is incubated with varying concentrations of the compound (0-100 µM) in assay buffer containing Co(II) as a cofactor. The substrate Met-AMC (methionine-7-amino-4-methylcoumarin) is added, and the release of AMC is monitored fluorometrically at excitation/emission of 340/440 nm. IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for ecMetAP-IN-1: Sf9 cells expressing human MetAP2 are cultured in Grace's insect medium with 10% FBS. Cells are treated with ecMetAP-IN-1 (0-100 µM) for 45 minutes, and enzyme inhibition is assessed. Cell viability is measured using standard cytotoxicity assays. Bacterial growth inhibition assays using E. coli cultures are also performed to evaluate antimicrobial activity.
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| Animal Protocol |
In vivo animal studies for ecMetAP-IN-1: the carrageenan-induced rat paw edema model is used to evaluate anti-inflammatory activity. Male Sprague-Dawley rats are administered ecMetAP-IN-1 orally at doses of 10-100 mg/kg. After 1 hour, carrageenan is injected into the paw, and paw volume is measured at 1, 2, 3, and 4 hours. Edema inhibition is calculated as a percentage of control.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ecMetAP-IN-1 have not been extensively characterized. The compound shows oral activity in vivo, indicating some degree of oral bioavailability. As a small molecule (molecular weight 209.25), it is expected to have moderate absorption and distribution. Further studies are needed to determine its half-life, clearance, and tissue distribution.
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| Toxicity/Toxicokinetics |
Toxicological data for ecMetAP-IN-1 are limited. The compound is for research use only and has not been approved for human use. No acute or chronic toxicity studies have been reported. Safety precautions should be taken during handling. The compound should be stored at -20°C and handled according to standard laboratory safety protocols.
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| References | |
| Additional Infomation |
ecMetAP-IN-1 is a research compound used for studying bacterial methionine aminopeptidase inhibition and antimicrobial strategies. It serves as a tool compound for understanding the role of ecMetAP in bacterial pathogenicity and as a lead for developing novel antibacterial agents. No clinical trials or regulatory approvals have been reported.
|
| Molecular Formula |
C13H11N3
|
|---|---|
| Molecular Weight |
209.25
|
| Exact Mass |
209.095
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| CAS # |
7471-12-7
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| PubChem CID |
345772
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.231g/cm3
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| Boiling Point |
438ºC at 760 mmHg
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| Flash Point |
208.3ºC
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| Index of Refraction |
1.679
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| LogP |
2.933
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
16
|
| Complexity |
243
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3
|
| InChi Key |
HFYFOFMVURXVSD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H11N3/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
|
| Chemical Name |
6-methyl-2-pyridin-2-yl-1H-benzimidazole
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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 | 4.7790 mL | 23.8949 mL | 47.7897 mL | |
| 5 mM | 0.9558 mL | 4.7790 mL | 9.5579 mL | |
| 10 mM | 0.4779 mL | 2.3895 mL | 4.7790 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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