| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
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| Other Sizes |
| Targets |
1H-pyrazole modulates targets including alcohol dehydrogenase (ADH) and NMDA receptors. It shows inhibitory activity against horse liver ADH with a Ki of 1862.09 nM and an IC50 of 9800.0 nM against rat cytosolic ADH. It also inhibits thromboxane synthetase at 100 µM with 8.9% inhibition and hinders KDM4C catalytic core-mediated demethylation (IC50 and Ki >200 µM).
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|---|---|
| ln Vitro |
1H-pyrazole exhibits growth inhibition across various human tumor cell lines, including renal, breast, non-small cell lung, leukemia, CNS, melanoma, ovarian, prostate, and colon cancer cells, with a GI50 of 10,000 nM. It inhibits horse liver ADH reversibly using ethanol as substrate. Pyrazole derivatives are orally effective antimalarial and antileishmanial agents.
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| ln Vivo |
Pyrazole derivatives exhibit inhibitory effects on Plasmodium berghei in infected mice and on promastigotes of Leishmania aethiopica. The parent compound 1H-pyrazole can be used in research related to malaria and leishmaniasis. The compound has a pKa of 2.52 and a logP of 0.26, indicating mild hydrophobicity.
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| Enzyme Assay |
In vitro enzyme inhibition assays for ADH are performed by incubating the enzyme with 1H-pyrazole (0.1-100 µM) and ethanol as substrate in glycine-NaOH buffer at pH 10.0. NADH production is monitored spectrophotometrically at 340 nm. The IC50 and Ki values are calculated from dose-response curves. For thromboxane synthetase inhibition, enzyme activity is measured by radioimmunoassay of thromboxane B2 production.
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| Cell Assay |
For in vitro cell assays, human tumor cell lines are cultured in RPMI-1640 or DMEM medium supplemented with 10% FBS. Cells are treated with 1H-pyrazole at concentrations ranging from 1 µM to 10 mM for 48-72 hours. Cell growth inhibition is assessed by SRB or MTT assays. GI50 values are determined from dose-response curves. The compound's effects on cell cycle and apoptosis can be evaluated by flow cytometry.
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| Animal Protocol |
For in vivo animal studies, 1H-pyrazole is typically administered to mice via oral gavage at doses of 10-100 mg/kg. For antimalarial studies, mice infected with Plasmodium berghei are treated orally with pyrazole derivatives, and parasitemia is monitored by blood smears. For antileishmanial studies, efficacy against Leishmania aethiopica promastigotes is evaluated in infected animal models. In vivo formulations may use 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline.
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| ADME/Pharmacokinetics |
1H-pyrazole is soluble in DMSO (50 mg/mL). It has a molecular weight of 68.08, density of 1.4088 g/cm³, and a logP of 0.26. The compound is stable as a powder at -20°C for 3 years and in solvent at -80°C for 1 year. Oral bioavailability is expected to be good due to its small size and moderate hydrophobicity. It is metabolized via hepatic cytochrome P450 enzymes.
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| Toxicity/Toxicokinetics |
1H-pyrazole has been evaluated for toxicity in various studies. At high concentrations (10 mM), it may cause cellular toxicity. The compound is for research use only and has not been fully validated for medical applications. Standard safety precautions should be followed when handling. No specific LD50 data are available in the search results. Toxicity is expected to be dose-dependent.
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| Additional Infomation |
1H-pyrazole is the 1H-tautomer of pyrazole. It is the conjugate base of pyrazolium and the conjugate acid of pyrazole-1-oxide. It is also the tautomer of 3H-pyrazole and 4H-pyrazole. Pyrazole has been reported to be present in Glycyrrhiza glabra, and relevant data are available. Pyrazole is a heterocyclic organic compound characterized by a cyclic structure consisting of three carbon atoms and two adjacent nitrogen atoms, with the molecular formula C3H4N2.
1H-pyrazole (CAS# 288-13-1) is a fundamental heterocyclic compound used extensively in medicinal chemistry and drug discovery. Pyrazole derivatives have been investigated in numerous preclinical studies for various therapeutic indications, including antimalarial, antileishmanial, anti-inflammatory, and anticancer applications. No pyrazole-based drug containing the parent compound has been approved; however, many pyrazole derivatives are FDA-approved drugs. The compound is primarily used as a research tool and synthetic intermediate. |
| Molecular Formula |
C3H4N2
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|---|---|
| Molecular Weight |
68.08
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| Exact Mass |
68.037
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| CAS # |
288-13-1
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| Related CAS # |
105809-46-9
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| PubChem CID |
1048
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
187.0±9.0 °C at 760 mmHg
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| Melting Point |
67-70 °C(lit.)
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| Flash Point |
87.5±11.7 °C
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| Vapour Pressure |
0.9±0.3 mmHg at 25°C
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| Index of Refraction |
1.528
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| LogP |
0.32
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
5
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| Complexity |
28.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CNN=C1
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| InChi Key |
WTKZEGDFNFYCGP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
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| Chemical Name |
1H-pyrazole
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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) |
DMSO: 100 mg/mL (1468.86 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (36.72 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (36.72 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (36.72 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 14.6886 mL | 73.4430 mL | 146.8860 mL | |
| 5 mM | 2.9377 mL | 14.6886 mL | 29.3772 mL | |
| 10 mM | 1.4689 mL | 7.3443 mL | 14.6886 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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