| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
No specific primary biological target has been identified for 4-cyanophenylhydrazine hydrochloride, as it functions primarily as a synthetic intermediate rather than a direct pharmacological agent. However, its derivatives have been investigated for various therapeutic applications. The compound serves as a precursor in the synthesis of polyaromatic urea derivatives for the treatment of muscle diseases, antifungal compounds, and MALT1 inhibitors. Through its hydrazine moiety, the compound can form hydrazones and other derivatives that may interact with various biological targets including enzymes and receptors involved in disease pathways. In the context of cystic fibrosis research, derivatives of this compound have been explored for their potential to modulate CFTR function. The compound's ability to undergo condensation reactions with carbonyl compounds makes it valuable for the synthesis of bioactive molecules targeting diverse biological pathways.
|
|---|---|
| ln Vitro |
It is a crucial starting point and intermediary for the production of medicines, dyes, insecticides, and chemical synthesis.
In vitro, 4-cyanophenylhydrazine hydrochloride serves as a key building block in organic synthesis for the construction of heterocyclic compounds and pharmaceutical intermediates. It is used in the synthesis of polyaromatic urea derivatives, antifungal compounds, and MALT1 inhibitors. The compound's hydrazine functionality allows it to participate in condensation reactions with aldehydes and ketones to form hydrazones, which are important intermediates in medicinal chemistry. In biochemical research, it is utilized as a reagent for studying enzyme inhibition mechanisms and protein modification. The compound can also be used as a starting material for the synthesis of various heterocyclic systems including pyrazoles, pyrazolines, and other nitrogen-containing rings that are prevalent in drug discovery. Its role as a sulfonylation reagent in organic synthesis further extends its utility in the preparation of complex molecules. |
| ln Vivo |
In vivo activity is not directly associated with the parent compound 4-cyanophenylhydrazine hydrochloride, as it is primarily a synthetic intermediate rather than a pharmacological agent. However, its derivatives, such as the polyaromatic urea derivatives and antifungal compounds synthesized from this intermediate, may be evaluated in animal models for therapeutic efficacy. The compound itself is not administered in vivo due to its role as a chemical building block. Its derivatives could potentially target various disease pathways including muscle diseases, cystic fibrosis, and fungal infections, but specific in vivo studies on the parent compound are not documented. Any in vivo effects would be attributed to the final drug molecules synthesized using this intermediate rather than the intermediate itself.
|
| Enzyme Assay |
Cell-free assays involving 4-cyanophenylhydrazine hydrochloride are focused on its use as a chemical reagent in organic synthesis. Standard protocols involve the condensation of the compound with aldehydes or ketones to form hydrazones, typically carried out in ethanol or methanol with catalytic acid at room temperature or under reflux. The reaction progress is monitored by TLC, and the products are purified by recrystallization or column chromatography. For the synthesis of heterocyclic compounds, the hydrazone intermediates can be further cyclized under various conditions to form pyrazoles, pyrazolines, or other nitrogen-containing heterocycles. The compound's reactivity can be studied using various analytical techniques including NMR spectroscopy, mass spectrometry, and HPLC. Its use in the synthesis of pharmaceutical intermediates follows standard organic synthesis procedures with appropriate purification and characterization.
|
| Cell Assay |
Cellular assays are not commonly performed with 4-cyanophenylhydrazine hydrochloride itself, as it is a chemical intermediate rather than a bioactive compound. However, its derivatives, such as the antifungal compounds and MALT1 inhibitors synthesized from this intermediate, are evaluated in cell-based systems. For antifungal activity, derivatives are tested against fungal cultures using standard broth microdilution methods to determine minimum inhibitory concentrations. For MALT1 inhibitors, cell lines are treated with the derivatives, and cell viability, proliferation, and MALT1 activity are measured. The parent compound itself is not used as a test article in cell-based experiments due to its primary role as a synthetic building block. Instead, it is used in the synthesis of drug candidates that are subsequently tested in cellular assays for their biological activities.
|
| Animal Protocol |
Animal studies are not conducted with the parent compound 4-cyanophenylhydrazine hydrochloride. Its derivatives, such as polyaromatic urea derivatives for muscle diseases, antifungal compounds, and MALT1 inhibitors, are evaluated in animal models for therapeutic efficacy. For muscle disease research, derivatives are tested in animal models of muscular dystrophy or other muscle disorders. For antifungal compounds, animal models of fungal infection are used to assess efficacy and safety. For MALT1 inhibitors, animal models of lymphoma or other MALT1-associated diseases are employed. The parent compound itself is not administered to animals, as it is a synthetic intermediate. Toxicity and pharmacological profiles for the parent compound are extrapolated from related hydrazine derivatives, as specific studies on the parent compound are not documented.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-cyanophenylhydrazine hydrochloride are not available, as the compound is primarily a synthetic intermediate rather than a drug candidate. With a molecular weight of 169.61 g/mol and a calculated LogP of 2.42, the compound would be expected to have moderate lipophilicity and membrane permeability if administered. The compound has a topological polar surface area of 61.8 Ų, suggesting moderate polar character. However, comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling. The compound's hydrazine functionality may contribute to its metabolic instability if it were to be administered systemically.
|
| Toxicity/Toxicokinetics |
Toxicological data for 4-cyanophenylhydrazine hydrochloride indicate that the compound is classified with GHS hazard statement H302 (harmful if swallowed). Precautionary statements include P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501. The compound has a melting point of 241-244 °C (dec.) and should be stored in a refrigerator. The compound is not classified as a carcinogen or mutagen based on available data, but comprehensive toxicological evaluation has not been performed. As with all research chemicals, appropriate safety precautions including the use of personal protective equipment such as gloves and safety goggles should be taken when handling the compound.
|
| Additional Infomation |
4-Cyanophenylhydrazine hydrochloride is a research chemical and synthetic intermediate, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals, and dyestuff. It is featured in patent applications for polyaromatic urea derivatives for the treatment of muscle diseases, antifungal compounds, and MALT1 inhibitors. The compound is also used in the research of cystic fibrosis. As a biochemical reagent, it can be utilized as a biomaterial or organic/chemical reagent for biomedical research. The compound has a purity of >98% and should be stored in a refrigerator. Its hydrazine functionality makes it a valuable building block for the synthesis of various heterocyclic compounds and pharmaceutical intermediates in drug discovery and development.
|
| Molecular Formula |
C7H8CLN3
|
|---|---|
| Molecular Weight |
169.61
|
| Exact Mass |
169.04
|
| CAS # |
2863-98-1
|
| PubChem CID |
16212962
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.19g/cm3
|
| Boiling Point |
325.9ºC at 760 mmHg
|
| Melting Point |
241-244 °C (dec.)(lit.)
|
| Flash Point |
150.9ºC
|
| Vapour Pressure |
0.000223mmHg at 25°C
|
| LogP |
2.419
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
138
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
Cl[H].N([H])(C1C([H])=C([H])C(C#N)=C([H])C=1[H])N([H])[H]
|
| InChi Key |
UXDLLFIRCVPPQP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H7N3.ClH/c8-5-6-1-3-7(10-9)4-2-6;/h1-4,10H,9H2;1H
|
| Chemical Name |
4-hydrazinylbenzonitrile;hydrochloride
|
| 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 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 | 5.8959 mL | 29.4794 mL | 58.9588 mL | |
| 5 mM | 1.1792 mL | 5.8959 mL | 11.7918 mL | |
| 10 mM | 0.5896 mL | 2.9479 mL | 5.8959 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
