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| Targets |
4-(Phenyldiazenyl)benzoic acid targets the transient receptor potential ankyrin 1 (TRPA1) channel as a photosensitive and photoswitchable agonist. TRPA1 is a non-selective cation channel involved in pain sensation, inflammation, and sensory perception. As a photoswitchable agonist, the compound's activity can be controlled by light, allowing precise spatiotemporal modulation of TRPA1 activity. This makes it a valuable tool for studying pain signaling pathways. The compound's mechanism involves light-induced conformational changes that activate TRPA1.
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| ln Vitro |
In vitro studies demonstrate that 4-(Phenyldiazenyl)benzoic acid is a photosensitive and photoswitchable TRPA1 agonist. Its activity can be controlled by light, allowing precise modulation of TRPA1 channel activation. The compound can be used as a pharmacological tool for the study of pain signaling. The photoswitchable nature of the compound enables researchers to study TRPA1-mediated pain pathways with high temporal and spatial resolution. Detailed in vitro characterization data, including light-dependent activation profiles, are available in the primary literature.
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| ln Vivo |
In vivo studies of 4-(Phenyldiazenyl)benzoic acid are limited in publicly available literature. As a photoswitchable TRPA1 agonist, the compound has potential for in vivo investigations of pain signaling with light-controlled activation. The photoswitchable properties could enable optopharmacological approaches to study pain pathways in animal models. However, specific in vivo efficacy data and detailed animal model studies are not extensively reported. Further research is needed to establish its in vivo activity profile and utility as a research tool.
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| Enzyme Assay |
For TRPA1 channel activation assays, cells expressing TRPA1 channels (e.g., HEK293 cells) are cultured and loaded with calcium-sensitive fluorescent dyes. 4-(Phenyldiazenyl)benzoic acid is dissolved in DMSO and diluted in assay buffer to varying concentrations. Cells are treated with the compound and exposed to light of specific wavelengths to induce photoswitching. Calcium flux is measured using fluorescence plate readers. EC50 values are calculated from dose-response curves under different light conditions. For selectivity assays, similar protocols are used with other TRP channels. Assays are performed in replicate with appropriate vehicle and light controls.
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| Cell Assay |
For in vitro cellular assays, cells expressing TRPA1 channels (e.g., HEK293 cells or primary sensory neurons) are cultured in appropriate media under standard conditions (37°C, 5% CO2). 4-(Phenyldiazenyl)benzoic acid is dissolved in DMSO and diluted in culture medium to desired concentrations. Cells are treated with compound and exposed to light of specific wavelengths. TRPA1 channel activity is assessed by measuring intracellular calcium flux using fluorescent indicators. Cell viability and cytotoxicity can be assessed using standard assays. Each concentration is tested in replicate wells with vehicle controls and light controls.
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| Animal Protocol |
For in vivo animal studies of 4-(Phenyldiazenyl)benzoic acid, no specific published protocols are available. For general in vivo administration of photoswitchable compounds, specialized delivery methods (e.g., local injection followed by light exposure) may be required. Dosing and light exposure regimens vary by study objective. For pain models, animals may be treated with compound and nociceptive responses are measured with and without light stimulation. All procedures must follow institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-(Phenyldiazenyl)benzoic acid are characteristic of a small-molecule photoswitchable compound. The compound has a molecular weight of 226.23, formula C13H10N2O2, and CAS number 1562-93-2. Storage: typically at -20°C for powder; in solvent at -80°C. Solubility: soluble in DMSO and other organic solvents. Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are not extensively reported in publicly available sources. The compound is a research tool for optopharmacology studies.
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| Toxicity/Toxicokinetics |
According to available safety information, 4-(Phenyldiazenyl)benzoic acid is intended for research purposes only. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid dust formation and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. No clinical toxicity data are available.
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| References | |
| Additional Infomation |
4-(Phenyldiazenyl)benzoic acid is a photosensitive and photoswitchable TRPA1 agonist used as a pharmacological tool for studying pain signaling. Its activity can be controlled by light, enabling precise spatiotemporal modulation of TRPA1. It has a molecular weight of 226.23 and formula C13H10N2O2. It is for research use only with no clinical development or regulatory approvals reported.
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| Molecular Formula |
C13H10N2O2
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| Molecular Weight |
226.23
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| Exact Mass |
226.074
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| CAS # |
1562-93-2
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| PubChem CID |
15276
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| Appearance |
Yellow to orange solid powder
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| Density |
1.19g/cm3
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| Boiling Point |
418.1ºC at 760mmHg
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| Melting Point |
247-250ºC(lit.)
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| Flash Point |
206.7ºC
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| Vapour Pressure |
9.72E-08mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
277
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O
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| InChi Key |
CSPTZWQFHBVOLO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)
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| Chemical Name |
4-phenyldiazenylbenzoic acid
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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 | 4.4203 mL | 22.1014 mL | 44.2028 mL | |
| 5 mM | 0.8841 mL | 4.4203 mL | 8.8406 mL | |
| 10 mM | 0.4420 mL | 2.2101 mL | 4.4203 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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