| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Targets |
Bredinin aglycone is a purine nucleotide analogue and is used as a research tool for studying purine nucleotide metabolism and the efficiency of catalysts for purine nucleotide analogue preparation. Its molecular target is not well-defined but it is structurally related to purine nucleotides. As a 5-hydroxyimidazole carboxamide, it may interact with enzymes involved in purine biosynthesis or nucleotide metabolism. The compound's role as a purine nucleotide analogue makes it useful for studying nucleotide metabolism pathways and developing synthetic methodologies.
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| ln Vitro |
In vitro studies with Bredinin aglycone focus on its use as a reference standard and research tool for examining catalyst efficiency in purine nucleotide analogue preparation. The compound is used in biochemical experiments to assay the activity of catalysts for purine nucleotide analogue synthesis. As a small molecule with a hydroxyimidazole carboxamide structure (molecular weight 127.10 g/mol), it may serve as a substrate or inhibitor in enzyme assays. Its bioactivity is primarily as a research reagent rather than a pharmacological agent.
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| ln Vivo |
In vivo studies of Bredinin aglycone have not been extensively reported, as the compound is primarily used as a research reagent for catalyst efficiency studies rather than as a therapeutic agent. The compound has been designated as an antitumor agent (SM-108), suggesting potential anticancer activity that may have been evaluated in preclinical models. However, specific in vivo study details are not widely available. The compound's purine nucleotide analogue structure suggests potential for studying nucleotide metabolism in vivo.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Bredinin aglycone are not typically performed for pharmacological characterization, as the compound is primarily used as a research reagent for catalyst efficiency studies. However, the compound can be used in biochemical assays to evaluate the activity of enzymes involved in purine nucleotide metabolism. Assays may involve incubating the compound with relevant enzymes (e.g., purine nucleoside phosphorylase, IMP dehydrogenase) and measuring substrate conversion or product formation using HPLC or spectrophotometric methods. The compound can also be used in binding studies with nucleotide-binding proteins.
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| Cell Assay |
For in vitro cell-based assays, Bredinin aglycone may be used to study purine nucleotide metabolism in cell culture systems. Cells are cultured in appropriate media and treated with the compound at concentrations ranging from 1-100 μM for 24-72 hours. The effects on cell viability, proliferation, and nucleotide metabolism are assessed. Cell viability is measured by MTT or CCK-8 assays. Nucleotide levels can be quantified by HPLC or LC-MS. As a research reagent, the compound's primary use is in biochemical and analytical applications rather than cellular assays. The compound may also be used as a standard in analytical method development.
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| Animal Protocol |
In vivo animal studies with Bredinin aglycone have not been extensively reported. The compound has been designated as an antitumor agent (SM-108), suggesting that it may have been evaluated in animal models of cancer. Typical studies would involve administering the compound orally or intraperitoneally to tumor-bearing mice at doses of 1-50 mg/kg. Tumor growth, survival, and toxicity would be monitored. However, specific published protocols are not readily available. The compound is primarily used as a research reagent rather than a therapeutic drug candidate.
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| ADME/Pharmacokinetics |
Bredinin aglycone has a molecular weight of 127.10 g/mol and molecular formula C₄H₅N₃O₂. As a small, polar molecule, the compound is expected to have good aqueous solubility. Pharmacokinetic properties have not been characterized, as the compound is primarily used as a research reagent. The compound is typically handled as a solid and stored at room temperature or -20°C for long-term storage. Standard handling precautions apply.
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| Toxicity/Toxicokinetics |
Bredinin aglycone is considered to have a favorable safety profile as a small molecule research reagent. No significant toxicity has been reported for this compound. As a purine nucleotide analogue, it may have potential effects on nucleotide metabolism at high concentrations, but at typical research use concentrations, it is not expected to be toxic. Standard laboratory safety precautions should be followed when handling the compound. The compound is not intended for human use.
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| References | |
| Additional Infomation |
5-Hydroxyimidazole-4-carboxamide is a hydroxyimidazole with the structure 5-hydroxyimidazole, where the hydrogen at the 4-position is replaced by an amino carbonyl group. It is an antitumor drug. It is a monocarboxylic acid amide and also a hydroxyimidazole. FF-10501-01 is a novel selective inosine monophosphate dehydrogenase (IMPDH) inhibitor with anticancer activity. FF-10501-01 is currently being investigated in the clinical trial NCT03486353 (a study of FF-10501-01 in combination with azacitidine for the treatment of patients with myelodysplastic syndromes).
Bredinin aglycone (5-Hydroxy-1H-imidazole-4-carboxamide) is a purine nucleotide analogue used to examine the efficiency of catalysts for the preparation of purine nucleotide analogues. It is also known as Ampba and has the SM-108 antitumor agent designation. The compound has a molecular formula of C₄H₅N₃O₂ and a molecular weight of 127.10 g/mol. It is available as a research-grade chemical for analytical and biochemical applications. The compound is not approved as a therapeutic drug and is intended for research purposes only. |
| Molecular Formula |
C4H5N3O2
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|---|---|
| Molecular Weight |
127.1014
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| Exact Mass |
127.038
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| CAS # |
56973-26-3
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| Related CAS # |
56973-26-3;66934-73-4 (HCl);1131657-91-4;1131657-83-4 (besylate); 1131657-85-6 (mesylate); 1428902-56-0 (hydrate); 66934-72-3 (sodium); 86011-08-7 (HBr); 1428902-57-1 (HCl hydrate);
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| PubChem CID |
124343
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| Appearance |
Light brown to black solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
575.0±35.0 °C at 760 mmHg
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| Melting Point |
260ºC
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| Flash Point |
301.6±25.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.682
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| LogP |
1.13
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UEWSIIBPZOBMBL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)
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| Chemical Name |
4-hydroxy-1H-imidazole-5-carboxamide
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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) |
H2O : ~2 mg/mL (~15.74 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 | 7.8678 mL | 39.3391 mL | 78.6782 mL | |
| 5 mM | 1.5736 mL | 7.8678 mL | 15.7356 mL | |
| 10 mM | 0.7868 mL | 3.9339 mL | 7.8678 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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