| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
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| Targets |
4-Phenyl-1H-1,2,3-triazole targets indoleamine 2,3-dioxygenase 1 (IDO1). IDO1 is a heme-containing enzyme that catalyzes the first and rate-limiting step in the kynurenine pathway of tryptophan catabolism. By inhibiting IDO1 with an IC50 of 60 μM, this compound modulates the immunosuppressive effects associated with tryptophan depletion and kynurenine production.
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|---|---|
| ln Vitro |
In vitro, 4-Phenyl-1H-1,2,3-triazole inhibits IDO1 with an IC50 of 60 μM. It is also a potent antimicrobial agent that inhibits the growth of bacteria and fungi. The compound serves as a baseline for rational structure-activity relationship (SAR) optimization. These in vitro activities support its use in cancer research and antimicrobial studies.
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| ln Vivo |
In vivo data for 4-Phenyl-1H-1,2,3-triazole is not extensively reported in publicly available sources. As an IDO1 inhibitor and antimicrobial agent, the compound has potential applications in animal models of cancer and infectious diseases. However, specific published in vivo efficacy studies are not detailed in the current literature. 4-Phenyl-1H-1,2,3-triazole is primarily used as a research tool for studying IDO1 inhibition.
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| Enzyme Assay |
The in vitro IDO1 inhibition assay for 4-Phenyl-1H-1,2,3-triazole uses recombinant IDO1 enzyme and a substrate such as L-tryptophan. Enzyme activity is measured by quantifying the production of kynurenine using colorimetric or HPLC methods. The compound is added at various concentrations, and IC50 values are calculated from dose-response curves. Antimicrobial activity is assessed using standard broth microdilution methods to determine minimum inhibitory concentrations (MICs).
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| Cell Assay |
Cellular assays for 4-Phenyl-1H-1,2,3-triazole are conducted in cancer cell lines or immune cells that express IDO1. Cells are treated with varying concentrations of the compound. IDO1 activity is measured by quantifying kynurenine levels in the cell culture supernatant. Antimicrobial activity is assessed in bacterial and fungal cultures. Cell viability is measured using standard assays.
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| Animal Protocol |
In vivo studies for 4-Phenyl-1H-1,2,3-triazole would typically involve animal models of cancer or infectious diseases. The compound would be administered via oral or intraperitoneal routes. Efficacy would be assessed by measuring tumor growth inhibition or microbial clearance. However, specific published in vivo protocols for 4-Phenyl-1H-1,2,3-triazole are not available in the current literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-Phenyl-1H-1,2,3-triazole is not extensively reported in publicly available sources. The compound has a molecular weight of 145.16 and a molecular formula of C8H7N3. It is soluble in DMSO at 25 mg/mL. As a small molecule, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life and bioavailability are not available.
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| Toxicity/Toxicokinetics |
Toxicity data for 4-Phenyl-1H-1,2,3-triazole is limited. As with all research compounds, 4-Phenyl-1H-1,2,3-triazole is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment.
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| References | |
| Additional Infomation |
4-Phenyl-1H-1,2,3-triazole (CAS 1680-44-0) is an inhibitor of the enzyme IDO1 with an IC50 of 60 μM. It can be used for cancer research and is also a potent antimicrobial agent. It serves as a baseline for SAR optimization of IDO1 inhibitors. It has a molecular formula of C8H7N3 and a molecular weight of 145.16. It is for research use only.
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| Molecular Formula |
C8H7N3
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|---|---|
| Molecular Weight |
145.161
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| Exact Mass |
145.063
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| CAS # |
1680-44-0
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| PubChem CID |
137153
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
346.0±11.0 °C at 760 mmHg
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| Melting Point |
143-14℃
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| Flash Point |
169.4±12.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.611
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| LogP |
1.91
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LUEYUHCBBXWTQT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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| Chemical Name |
4-phenyl-2H-triazole
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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 | 6.8890 mL | 34.4448 mL | 68.8895 mL | |
| 5 mM | 1.3778 mL | 6.8890 mL | 13.7779 mL | |
| 10 mM | 0.6889 mL | 3.4445 mL | 6.8890 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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