N)C2%3dNNC%3dC2)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
As a synthetic building block, this compound does not have a defined biological target. The aminophenylpyrazole scaffold is versatile for medicinal chemistry, and derivatives have been reported as inhibitors of kinases, COX-2, and other enzymes. The amino group enables the introduction of various pharmacophores, making this intermediate valuable for drug discovery.
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| ln Vitro |
No direct in vitro biological activity data have been reported for this compound. Related aminophenylpyrazoles have shown anti-inflammatory and anticancer activities with IC50 values in the micromolar range. The compound itself is not biologically evaluated.
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| ln Vivo |
No in vivo pharmacological data exist for this compound. As an intermediate, it is not administered.
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| Enzyme Assay |
Enzyme assays for pyrazole derivatives are performed using purified enzymes in appropriate buffers. IC50 values are determined.
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| Cell Assay |
Cell-based assays on the final compounds involve culturing relevant cell lines and measuring viability or cytokine production.
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| Animal Protocol |
In vivo studies on the final derivatives are conducted in animal models of inflammation or cancer.
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| ADME/Pharmacokinetics |
Pharmacokinetic data are not reported. Based on its LogP (estimated ~1.5), it is moderately hydrophilic. Storage at room temperature is recommended.
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| Toxicity/Toxicokinetics |
No toxicological data are available. As an aniline derivative, handle with caution; anilines may be toxic. Use fume hood, gloves, and goggles.
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| Additional Infomation |
This compound is a research chemical for synthetic purposes and is not an approved drug. It has no clinical trial history. Its value is as a building block for pyrazole-based pharmaceuticals. Typical purity is ≥95%. Storage at room temperature is recommended.
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| Molecular Formula |
C9H9N3
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|---|---|
| Molecular Weight |
159.18786
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| Exact Mass |
159.08
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| CAS # |
89260-46-8
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| PubChem CID |
2735398
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.238g/cm3
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| Boiling Point |
442.3ºC at 760 mmHg
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| Flash Point |
251.5ºC
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| Index of Refraction |
1.662
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| LogP |
2.24
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
149
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC(=C1)N)C2=NNC=C2
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| InChi Key |
SXPNWQIDNWGAEB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
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| Chemical Name |
3-(1H-pyrazol-5-yl)aniline
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| HS Tariff Code |
2934.99.9244
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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 | 6.2818 mL | 31.4090 mL | 62.8180 mL | |
| 5 mM | 1.2564 mL | 6.2818 mL | 12.5636 mL | |
| 10 mM | 0.6282 mL | 3.1409 mL | 6.2818 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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