| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
The primary target of MtUng-IN-1 is mycobacterial uracil DNA glycosylase (MtUng), an enzyme in the base excision repair pathway that removes uracil bases from DNA. MtUng-IN-1 inhibits MtUng with an IC₅₀ value of 300 μM. By inhibiting this DNA repair enzyme, the compound may induce DNA damage and cell death in mycobacteria. MtUng-IN-1 may also be utilized in cancer research due to the role of DNA repair enzymes in tumor biology.
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| ln Vitro |
In vitro studies have demonstrated that MtUng-IN-1 inhibits mycobacterial uracil DNA glycosylase with an IC₅₀ value of 300 μM. The compound shows inhibitory activity against the MtUng enzyme in biochemical assays. MtUng-IN-1 has been characterized as a moderate inhibitor of the target enzyme. The compound's in vitro activity supports its use as a research tool for studying DNA repair mechanisms and potential therapeutic strategies against mycobacterial infections.
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| ln Vivo |
In vivo activity data for MtUng-IN-1 are limited in the available literature. The compound is primarily used as a research tool for in vitro studies of DNA repair enzymes. Animal model studies evaluating its in vivo efficacy have not been extensively reported. Further investigations are needed to assess whether the in vitro enzyme inhibition translates to in vivo efficacy against mycobacterial infections.
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| Enzyme Assay |
For MtUng inhibition assays, recombinant mycobacterial uracil DNA glycosylase enzyme is incubated with a uracil-containing DNA substrate in the presence of MtUng-IN-1. Enzyme activity is measured by detecting the release of uracil from the DNA substrate using fluorescence-based or gel-based methods. IC₅₀ values are calculated from dose-response curves. Standard protocols for DNA glycosylase activity assays are described in the literature.
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| Cell Assay |
For in vitro cell-based studies, mycobacterial cells such as Mycobacterium tuberculosis or Mycobacterium smegmatis are cultured in appropriate media and treated with serial dilutions of MtUng-IN-1. Cell viability is assessed using standard assays such as resazurin reduction or colony counting. The compound's effects on bacterial growth and survival are evaluated. Cytotoxicity against mammalian cell lines may also be assessed in parallel.
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| Animal Protocol |
In vivo animal studies for MtUng-IN-1 have not been extensively reported. For similar antibacterial compounds targeting DNA repair enzymes, mouse models of mycobacterial infection may be used. The compound would be administered via oral or intraperitoneal routes. Efficacy endpoints include reduction in bacterial burden in target organs and survival. Standard protocols for in vivo efficacy studies can be adapted from the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MtUng-IN-1 have not been comprehensively characterized. As a small molecule with a molecular weight of 304.25 g/mol, it is expected to have reasonable membrane permeability. The compound is typically stored as a powder at -20°C for up to 3 years. Specific PK parameters such as half-life, clearance, and bioavailability have not been reported. Further pharmacokinetic studies are needed to understand its absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
Toxicological data for MtUng-IN-1 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. Standard safety assessments would be needed for therapeutic development.
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| References |
[1]. Kesharwani S, et al. Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur J Med Chem. 2023 Oct 5;258:115604.
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| Additional Infomation |
MtUng-IN-1 is a research compound for studying mycobacterial uracil DNA glycosylase inhibition. It is also known as Compound 18a. The compound may be utilized in cancer and infectious disease research due to the role of DNA repair enzymes in these fields. No clinical trials or regulatory approvals have been reported for this compound. MtUng-IN-1 serves as a research tool for studying DNA repair mechanisms and potential therapeutic strategies.
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| Exact Mass |
304.07
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|---|---|
| Elemental Analysis |
C, 55.27; H, 3.98; N, 9.21; O, 31.55
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| CAS # |
359826-99-6
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| PubChem CID |
2269496
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
497
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O
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| InChi Key |
DRJZANBOOKKVTE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H12N2O6/c1-21-11(17)7-22-9-4-2-8(3-5-9)6-10-12(18)15-14(20)16-13(10)19/h2-6H,7H2,1H3,(H2,15,16,18,19,20)
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| Chemical Name |
methyl 2-(4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate
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| Synonyms |
MtUng-IN-1; MtUng IN-1; MtUng-IN 1
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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.) |
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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