| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
The primary target of antituberculosis agent-5 is M. tuberculosis UDP-Gal mutase (Glf). UDP-Gal mutase is an enzyme involved in galactose metabolism in mycobacteria. By inhibiting this enzyme, the compound disrupts bacterial cell wall synthesis. Antituberculosis agent-5 is a nitrofuranylamide derivative.
|
|---|---|
| ln Vitro |
In vitro studies have demonstrated that antituberculosis agent-5 inhibits Glf activity with an IC₅₀ of 99 µM/mL. The compound has an anti-tuberculosis MIC of 1.6 µg/mL. Antituberculosis agent-5 shows antimicrobial activity against M. tuberculosis. Its in vitro activity supports its potential as an antitubercular agent.
|
| ln Vivo |
In vivo activity of antituberculosis agent-5 has not been extensively reported. The compound is primarily used as a research tool for in vitro studies. Animal model studies evaluating its in vivo efficacy have not been extensively published. Further studies are needed to assess its therapeutic potential.
|
| Enzyme Assay |
For UDP-Gal mutase inhibition assays, recombinant Glf enzyme is incubated with a substrate in the presence of antituberculosis agent-5. Enzyme activity is measured, and IC₅₀ values are calculated. For antimicrobial activity screening, standard broth microdilution methods are used. M. tuberculosis cells are cultured and exposed to serial dilutions of the compound.
|
| Cell Assay |
For in vitro cell-based studies, M. tuberculosis cells are cultured in appropriate media and treated with serial dilutions of antituberculosis agent-5. Bacterial growth is assessed. Cytotoxicity against mammalian cells may be assessed in parallel.
|
| Animal Protocol |
In vivo animal studies for antituberculosis agent-5 have not been extensively reported. For similar antitubercular compounds, mouse models of tuberculosis infection may be used. The compound would be administered via oral or intraperitoneal routes. Standard protocols for in vivo efficacy studies can be adapted from the literature.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of antituberculosis agent-5 have not been comprehensively characterized. As a small molecule with a molecular weight of 276.24 g/mol, it is expected to have reasonable membrane permeability. Specific PK parameters such as half-life and bioavailability have not been reported. Further pharmacokinetic studies are needed.
|
| Toxicity/Toxicokinetics |
Toxicological data for antituberculosis agent-5 are limited. As a research compound, standard toxicological studies have not been extensively published. Cytotoxicity against mammalian cell lines may be assessed in parallel with activity studies. The compound is for research use only and is not intended for human therapeutic use.
|
| References |
[1]. Tangallapally RP, et al. Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents. J Med Chem. 2004 Oct 7;47(21):5276-83.
|
| Additional Infomation |
Antituberculosis agent-5 is a research compound for studying tuberculosis. It is a nitrofuranylamide derivative that inhibits M. tuberculosis UDP-Gal mutase. The compound has an IC₅₀ of 99 µM/mL and an MIC of 1.6 µg/mL. No clinical trials or regulatory approvals have been reported.
|
| Molecular Formula |
C13H12N2O5
|
|---|---|
| Molecular Weight |
276.24
|
| Exact Mass |
276.075
|
| CAS # |
313981-44-1
|
| PubChem CID |
779741
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.04
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
20
|
| Complexity |
357
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)[N+](=O)[O-]
|
| InChi Key |
VZQIZHBNJHJIOR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
|
| Chemical Name |
N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 3.6200 mL | 18.1002 mL | 36.2004 mL | |
| 5 mM | 0.7240 mL | 3.6200 mL | 7.2401 mL | |
| 10 mM | 0.3620 mL | 1.8100 mL | 3.6200 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
