| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
|
||
| 100g |
|
||
| Other Sizes |
| Targets |
4-Iodopyrazole does not have a defined pharmacological target of its own, as it is a synthetic intermediate. However, it is used in the synthesis of (pyrazolyl)oxobenzocycloheptapyridinyl acetamides that act as inhibitors of c-Met. The iodine atom at the C4 position provides a versatile handle for cross-coupling reactions in medicinal chemistry.
|
|---|---|
| ln Vitro |
4-Iodopyrazole for heterodiaryl synthesis mediated by indium. In the presence of iodine and ammonium hydroxide, it undergoes iodization to produce 3,4-diiodo- and 3,4,5-triiodo-pyrazoles.
In vitro, 4-Iodopyrazole is primarily used as a chemical reagent and synthetic intermediate. It is used in the synthesis of (pyrazolyl)oxobenzocycloheptapyridinyl acetamides that act as inhibitors of c-Met. As a highly reactive, halogenated heterocyclic building block, it lowers required transition-metal catalyst loading and enables demanding C-heteroatom and C-C bond formations. |
| ln Vivo |
In vivo activity data for 4-Iodopyrazole itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of c-Met inhibitors that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from it.
|
| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 4-Iodopyrazole is not typically evaluated as a test compound itself. Instead, it serves as a reagent for the synthesis of test compounds. The compound's properties include a molecular weight of 193.97 g/mol, a melting point of 107-111°C, a density of 2.335 g/cm³, and a boiling point of 291.9°C. The iodine atom provides a versatile handle for cross-coupling reactions.
|
| Cell Assay |
For in vitro cell-based experiments, 4-Iodopyrazole is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations.
|
| Animal Protocol |
In vivo animal studies using 4-Iodopyrazole are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For c-Met inhibitors derived from this building block, efficacy studies would typically be performed in mouse xenograft models of cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Iodopyrazole as a standalone compound are not characterized in the literature. The compound has a molecular weight of 193.97 g/mol, which is within the favorable range for oral bioavailability. The melting point is 107-111°C and the density is 2.335 g/cm³. Empirical pharmacokinetic data are not available for this intermediate compound.
|
| Toxicity/Toxicokinetics |
4-Iodopyrazole is a research chemical and should be handled with appropriate laboratory safety precautions. As a halogenated heterocyclic compound, it may pose risks of skin and eye irritation. The compound should be stored at room temperature in a cool and dark place below 15°C. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available.
|
| Additional Infomation |
4-Iodopyrazole is a pyrazole compound and also an organic iodine compound.
4-Iodopyrazole (CAS 3469-69-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a highly reactive, halogenated heterocyclic building block for the synthesis of pharmaceutical compounds, including (pyrazolyl)oxobenzocycloheptapyridinyl acetamides that act as c-Met inhibitors. The iodine atom enables demanding C-heteroatom and C-C bond formations. No clinical trials or approved indications exist for this compound. |
| Molecular Formula |
C3H3IN2
|
|---|---|
| Molecular Weight |
193.97
|
| Exact Mass |
193.934
|
| CAS # |
3469-69-0
|
| PubChem CID |
77022
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
2.3±0.1 g/cm3
|
| Boiling Point |
291.9±13.0 °C at 760 mmHg
|
| Melting Point |
108-110 °C
|
| Flash Point |
130.3±19.8 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.688
|
| LogP |
1.7
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
6
|
| Complexity |
48.1
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
IC1C=NNC=1
|
| InChi Key |
LLNQWPTUJJYTTE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
|
| Chemical Name |
4-iodo-1H-pyrazole
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| 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
|
|---|---|
| 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 | 5.1554 mL | 25.7772 mL | 51.5544 mL | |
| 5 mM | 1.0311 mL | 5.1554 mL | 10.3109 mL | |
| 10 mM | 0.5155 mL | 2.5777 mL | 5.1554 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
