3-Acetylcoumarin | CAS:3949-36-8 | Manufacturer ChemFaces

3-Acetylcoumarin

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Description:

3-Acetylcoumarin as a practical ligand for copper-catalyzed CN coupling reactions at room temperature. 3-Acetylcoumarin has neuroprotective,and acaricidal properties.

In vitro:

Chinese Journal of Pesticide ence, 2016.

Study on acaricidal bioactivity and quantitative structure activity relationship of coumarin compounds against Tetranychus cinnabarinus Bois.(Acari: Tetranychidae).[Reference: WebLink]

METHODS AND RESULTS:
The acaricidal bioactivities of 25 representative coumarin compounds were evaluated by slide-dip method and a quantitative structure-activity relationship(QSAR) model with strong predictive ability was established. The acaricidal assay results showed that all the tested compounds exhibited high contact activity against Tetranychus cinnabarinus and the contact activity increased with prolongation of treatment time. The 48 h LC_(50) values of 8 compounds [3-(2-benzimidazolyl)-7-(diethylamino)coumarin(1), 3-(2- benzothiazolyl)-7-(diethylamino)coumarin(2), 3-aminocoumarin(3), 3-Acetylcoumarin(4), 4- methoxycoumarin(5), 6-nitrocoumarin(8), 6,7-dimethoxy coumarin(13), 7,8-dihydroxy- coumarin(21)] were less than 1 000 mg/L. The acaricidal activities of compouds 1, 2, 3, 5and 13 were higher or comparable to 98.32% spirodiclofen TC. The 48 h and 72 h LC_(50) values of the compound with the highest acaricidal activity(13) were 284.8 and 122.2 mg/m L respectively. The acaricidal activity against T. cinnabarinus of compound 13 was two fold higher than that of spirodiclofen. 34 physicochemical parameters of the above mentioned 25 coumarin compounds were calculated and used to build a QSAR model. SPSS Stepwise Regression analysis method was applied,without correlation and correcting.
CONCLUSIONS:
And the Stretch-Bend Dipole, Dipole, Total Energy and Molecular Radius were taken as independent variables in the model. This model has a strong predictive ability with R = 0.987, R2 = 0.967 and F = 155.176.

3-Acetylcoumarin Description

Source:
Solvent:	Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Storage:	Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 24 months(2-8C). Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20C. Generally, these will be useable for up to two weeks. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please email to: service@chemfaces.com
After receiving:	The packaging of the product may have turned upside down during transportation, resulting in the natural compounds adhering to the neck or cap of the vial. take the vial out of its packaging and gently shake to let the compounds fall to the bottom of the vial. for liquid products, centrifuge at 200-500 RPM to gather the liquid at the bottom of the vial. try to avoid loss or contamination during handling.

Kinase Assay:

European Journal of Medicinal Chemistry, 2016,121(4):803-809.

Thiosemicarbazone modification of 3-acetyl coumarin inhibits Aβ peptide aggregation and protect against Aβ-induced cytotoxicity.[Reference: WebLink]

Aggregation of amyloid β peptide (Aβ) is an important event in the progression of Alzheimer's disease. Therefore, among the available therapeutic approaches to fight with disease, inhibition of Aβ aggregation is widely studied and one of the promising approach for the development of treatments for Alzheimer's disease. Thiosemicarbazone compounds are known for their variety of biological activities. However, the potential of thiosemicarbazone compounds towards inhibition of Aβ peptide aggregation and the subsequent toxicity is little explored.
METHODS AND RESULTS:
Herein, we report synthesis and x-ray crystal structure of novel compound 3-Acetylcoumarin thiosemicarbazone and its efficacy toward inhibition of Aβ(1-42) peptide aggregation. Our results indicate that 3-Acetylcoumarin thiosemicarbazone inhibits Aβ(1-42) peptide aggregation up to 80% compared to the parent 3-Acetylcoumarin which inhibits 52%. Further, 3-acetyl coumarin thiosemicarbazone provides neuroprotection against Aβ-induced cytotoxicity in SH-SY5Y cell line.
CONCLUSIONS:
These findings indicate that thiosemicarbazone modification renders 3-Acetylcoumarin neuroprotective properties.

Structure Identification:

Synthesis,2010(08):1280-1284.

3-Acetylcoumarin as a PracticalLigand for Copper-Catalyzed C-N Coupling Reactions at RoomTemperature.[Reference: WebLink]

METHODS AND RESULTS:
The use of coumarin-based ligands was examined in copper-catalyzed C-N cross-coupling reactions. It was found that 3-Acetylcoumarin constituted a new, practical ligand for the copper-catalyzed N-arylation of aliphatic amines and imidazole with aryl iodides at room temperature. Aryl bromides could also be aminated efficiently at 80 degrees C.
CONCLUSIONS:
This readily available catalyst system, namely copper(I) iodide and 3-Acetylcoumarin, provides a mild and practical method for the synthesis of aromatic amines.

Product Name	3-Acetylcoumarin
Price:	$30 / 20mg
CAS No.:	3949-36-8
Catalog No.:	CFN70105
Molecular Formula:	C₁₁H₈O₃
Molecular Weight:	188.1 g/mol
Purity:	>=98%
Type of Compound:	Coumarins
Physical Desc.:	Powder
Source:
Solvent:	Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Download:	COA MSDS
Similar structural:	Comparison
Guestbook:

Size /Price /Stock	10 mM * 100 uL in DMSO / Inquiry / In-stock 10 mM * 1 mL in DMSO / Inquiry / In-stock
Related Libraries	Coumarins Compound Library

	1 mg	5 mg	10 mg	20 mg	25 mg
1 mM	5.3163 mL	26.5816 mL	53.1632 mL	106.3264 mL	132.908 mL
5 mM	1.0633 mL	5.3163 mL	10.6326 mL	21.2653 mL	26.5816 mL
10 mM	0.5316 mL	2.6582 mL	5.3163 mL	10.6326 mL	13.2908 mL
50 mM	0.1063 mL	0.5316 mL	1.0633 mL	2.1265 mL	2.6582 mL
100 mM	0.0532 mL	0.2658 mL	0.5316 mL	1.0633 mL	1.3291 mL

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CFN92929	4-Hydroxy-1-methoxycarbonyl-beta-carboline	74690-72-5	242.23	C₁₃H₁₀N₂O₃
CFN95561	Methyl caffeate acid	3843-74-1	194.18	C₁₀H₁₀O₄