| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Phthalide's mechanism of action is related to its anti-inflammatory efficacy. As a chemical scaffold, it serves as a precursor for various bioactive phthalide derivatives. Butylphthalide (NBP), a derivative of phthalide, has been approved in China as an anti-ischemic stroke drug, indicating the therapeutic potential of this scaffold.
|
|---|---|
| ln Vitro |
In vitro, phthalide and its derivatives have been shown to influence cell function in various ways, impacting cell signaling pathways, gene expression, and cellular metabolism. As a scaffold for anti-inflammatory and antimicrobial agents, phthalide derivatives exhibit potent activities in cell-based assays.
|
| ln Vivo |
In vivo, N-butylphthalide (NBP), a phthalide derivative, has been approved in China as an anti-ischemic stroke drug, demonstrating the in vivo efficacy of phthalide-based compounds. This supports the potential of phthalide as a valuable scaffold for drug development.
|
| Enzyme Assay |
For non-cellular in vitro assays, phthalide is evaluated for its chemical properties and reactivity. As a scaffold, it is used in synthetic chemistry to prepare various derivatives. Enzyme inhibition assays may be performed to evaluate the activity of phthalide derivatives against specific targets.
|
| Cell Assay |
For in vitro cellular assays, phthalide derivatives are tested in cell cultures to assess their anti-inflammatory, antimicrobial, and antioxidant activities. Cells are treated with the compounds, and markers of inflammation, microbial growth inhibition, or oxidative stress are measured.
|
| Animal Protocol |
For in vivo animal studies, phthalide derivatives such as N-butylphthalide (NBP) have been studied in animal models of ischemic stroke, demonstrating therapeutic efficacy. These studies support the potential of phthalide as a scaffold for developing drugs for neurological and inflammatory conditions.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for phthalide itself are limited. However, N-butylphthalide (NBP), a derivative, has been developed as an oral drug, indicating that phthalide-based compounds can have favorable pharmacokinetic properties. Absorption, distribution, metabolism, and excretion profiles would vary depending on the specific derivative.
|
| Toxicity/Toxicokinetics |
Toxicological data for phthalide are limited. As a chemical scaffold, its toxicity would depend on the specific derivative. N-butylphthalide (NBP) has been approved for clinical use in China, suggesting acceptable safety for that particular derivative.
|
| References |
|
| Additional Infomation |
2-Benzofuran-1(3H)-one is a γ-lactone, a compound in which the hydrogen atom at the 1-position of 1,3-dihydro-2-benzofuran is replaced by a carbonyl group. It is a γ-lactone and belongs to the 2-benzofuran class of compounds. Phthalate esters have been reported in Ligusticum chuanxiong, Angelica sinensis, and Ligusticum striatum, and relevant data are available.
Phthalide is a promising chemical scaffold with potent anti-inflammatory activities. It can be used to synthesize various phthalide derivatives including anti-inflammatory agents, antimicrobials, and antioxidants. N-butylphthalide (NBP), a derivative, has been approved in China as an anti-ischemic stroke drug. Phthalides have been shown to impact cell signaling pathways, gene expression, and cellular metabolism. |
| Molecular Formula |
C8H6O2
|
|---|---|
| Molecular Weight |
134.13
|
| Exact Mass |
134.036
|
| CAS # |
87-41-2
|
| PubChem CID |
6885
|
| Appearance |
Solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
290.0±0.0 °C at 760 mmHg
|
| Melting Point |
75 °C
|
| Flash Point |
124.8±22.2 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.585
|
| LogP |
0.99
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
153
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1C2=CC=CC=C2C(=O)O1
|
| InChi Key |
WNZQDUSMALZDQF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
|
| Chemical Name |
3H-2-benzofuran-1-one
|
| 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 |
| 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) |
DMSO: 100 mg/mL (745.55 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.64 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 (18.64 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 (18.64 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 | 7.4555 mL | 37.2773 mL | 74.5545 mL | |
| 5 mM | 1.4911 mL | 7.4555 mL | 14.9109 mL | |
| 10 mM | 0.7455 mL | 3.7277 mL | 7.4555 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
