| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-Fluorophthalic anhydride is a rigid M1/M3 muscarinic agonist affecting acetylcholine activity, used often in the treatment of Alzheimer's disease. Muscarinic receptors are G protein-coupled receptors that mediate the effects of acetylcholine in the central and peripheral nervous systems. The compound does not have a direct pharmacological target but serves as a building block for muscarinic agonists.
|
|---|---|
| ln Vitro |
In vitro, 4-fluorophthalic anhydride is primarily used as a chemical reagent and synthetic intermediate. It is used in the preparation of 5-fluoro-2-pyridin-3-ylmethyl-isoindole-1,3-dione by reacting with C-pyridin-3-yl-methylamine. The compound is a fluorinated building block commonly used in chemical synthesis for the preparation of polyimide, pesticides, herbicides, and fungicides.
|
| ln Vivo |
In vivo data for 4-fluorophthalic anhydride as a therapeutic agent are limited. The compound is a rigid M1/M3 muscarinic agonist used often in the treatment of Alzheimer's disease. However, specific in vivo efficacy and pharmacokinetic data for the compound itself are not well-documented. Its in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its phthalic anhydride scaffold.
|
| Enzyme Assay |
For in vitro chemical synthesis, 4-fluorophthalic anhydride is used as a building block for the preparation of various compounds. Standard protocols involve reacting the anhydride with amines to form phthalimides or with alcohols to form esters. The compound is used in the preparation of 5-fluoro-2-pyridin-3-ylmethyl-isoindole-1,3-dione. The anhydride group is reactive toward nucleophiles, making it a versatile intermediate.
|
| Cell Assay |
For in vitro cell-based experiments, 4-fluorophthalic anhydride 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 in appropriate cell culture medium.
|
| Animal Protocol |
In vivo animal studies using 4-fluorophthalic anhydride are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For muscarinic agonists derived from this building block, efficacy studies would typically be performed in mouse models of Alzheimer's disease. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate behavioral and pharmacokinetic endpoints.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-fluorophthalic anhydride as a standalone compound are not characterized in the literature. The compound has a molecular weight of 166.11 g/mol, which is favorable for oral bioavailability. The compound has a logP of 1.14, a boiling point of 304.1°C, and a density of 1.55 g/cm³. The anhydride group is reactive and would be rapidly hydrolyzed in aqueous environments.
|
| Toxicity/Toxicokinetics |
4-Fluorophthalic anhydride is classified with GHS hazard statement H302: Harmful if swallowed. Precautionary statements include P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501. The signal word is Warning. The compound should be stored in a cool, dry place in a tightly closed container.
|
| Additional Infomation |
4-Fluorophthalic anhydride (CAS 319-03-9) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in the preparation of polyimide, pesticides, herbicides, and fungicides and as a building block for M1/M3 muscarinic agonists for Alzheimer's disease research. No clinical trials or approved therapeutic indications exist for this compound.
|
| Molecular Formula |
C8H3FO3
|
|---|---|
| Molecular Weight |
166.11
|
| Exact Mass |
166.006
|
| CAS # |
319-03-9
|
| PubChem CID |
67572
|
| Appearance |
Off-white to gray solid powder
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
304.1±25.0 °C at 760 mmHg
|
| Melting Point |
75-79 °C(lit.)
|
| Flash Point |
133.3±18.1 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.583
|
| LogP |
1.65
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
239
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC2=C(C=C1F)C(=O)OC2=O
|
| InChi Key |
XVMKZAAFVWXIII-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
|
| Chemical Name |
5-fluoro-2-benzofuran-1,3-dione
|
| 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) |
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 | 6.0201 mL | 30.1005 mL | 60.2011 mL | |
| 5 mM | 1.2040 mL | 6.0201 mL | 12.0402 mL | |
| 10 mM | 0.6020 mL | 3.0101 mL | 6.0201 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
