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Synthesis and characterization of new thiosemicarbazones, as potent urease inhibitors: In vitro and in silico studies

A new series of N-substituted thiosemicarbazones (3a-u) bearing 2-naphthyl and dihydrobenzofuranyl scaffolds were synthesized in good to excellent yields (78?95%). The synthesized compounds were characterized by advanced spectroscopic techniques, such as FTIR, 1HNMR, 13CNMR and ESI-MS and evaluated as urease inhibitors. The structure of compound 3m was unambiguously confirmed by single crystal X-ray analysis. All compounds showed remarkable activities against urease enzyme with IC50 values in range of 1.4?36.1 muM. The majority of the synthesized compounds showed higher activity than the standard compound thiourea. Molecular docking was performed to study the mode of interaction of these compounds and their structure-activity relationship. These studies revealed that the compounds bind at the active site and interacts with the nickel atom present in the binding site. The molecular docking demonstrated excellent co-relations with the experimental findings.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2084O – PubChem

Discovery of 5-Acetyl-2,3-dihydrobenzo[b]furan

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SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS

A composition comprising an alkynyl phenoxy compound of Formula (I) as a synergist and a pesticidal active ingredient is described, wherein R1 and R2, similar or different, are (C1-C4)alkyl or R1O- and R2O- together represent a group -O-CH2-O-, -O- CH(CH3)-O, -O-CH2-CH2-O-, -O-CH2-CH2-, R3 is (C1-C6)alkyl, (C3-C6)alkenyl or -B- (CH2-CH2-O)z-R6 where B is -CH2-O- or -O-, z is 0, 1 or 2 and R6 is (C1-C4)alkyl;R4 is hydrogen or methyl;R5 is hydrogen or methyl;x is an integer from 1 to 2; y is 0, 1 or 2; with the proviso that when R3 is -B-(CH2-CH2-O)z-R6, y is 1 and 5-(propargyloxy)- benzo[1,3]dioxole is excluded.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2055O – PubChem

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ENDOTHELIN ANTAGONISTS

A compound of the formula (I): STR1 or a pharmaceutically acceptable salt thereof is disclosed, as well as processes for and intermediates in the preparation thereof, and a method of antagonizing endothelin.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2069O – PubChem

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Substituted alkynyl phenoxy compounds and their uses

An alkynyl phenoxy compound of Formula (I) is described, wherein R1 and R2, similar or different, are (C1-C4)alkyl or R1O- and R2O- together represent a group -O-CH2-O-, -O-CH(CH3)-O-, -O-CH2-CH2-O-, -O-CH2-CH2-, R3 is (C1-C6)alkyl, (C3-C6)alkenyl or -B-(CH2-CH2-O)z-R6 where B is -CH2-O- or -O-, z is 0, 1 or 2 and R6 is (C1-C4)alkyl; R4 is hydrogen or methyl;R5 is hydrogen or methyl;x is an integer from 1 to 2; y is 0,1 or 2; with the proviso that when R3 is -B-(CH2-CH2-O)2-R6, y is 1 and 5-(propargyloxy)-benzo[1,3]dioxole is excluded. A pesticide composition comprising the compound of the invention and a pesticidal active ingredient is also described.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2056O – PubChem

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Chiral Br¡ãnsted Acid from Chiral Phosphoric Acid Boron Complex and Water: Asymmetric Reduction of Indoles

A new chiral Br¡ãnsted acid, generated in situ from a chiral phosphoric acid boron (CPAB) complex and water, was successfully applied to asymmetric indole reduction. This ?designer acid catalyst?, which is more acidic than TsOH as suggested by DFT calculations, allows the unprecedented direct asymmetric reduction of C2-aryl-substituted N-unprotected indoles and features good to excellent enantioselectivities with broad functional group tolerance. DFT calculations and mechanistic experiments indicates that this reaction undergoes C3-protonation and hydride-transfer processes. Besides, bulky C2-alkyl-substituted N-unprotected indoles are also suitable for this system.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2099O – PubChem

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ENDOTHELIN ANTAGONISTS

A compound of the formula (I): STR1 or a pharmaceutically acceptable salt thereof is disclosed, as well as processes for and intermediates in the preparation thereof, and a method of antagonizing endothelin.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2070O – PubChem

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ENDOTHELIN ANTAGONISTS

A compound of the formula (I): STR1 or a pharmaceutically acceptable salt thereof is disclosed, as well as processes for and intermediates in the preparation thereof, and a method of antagonizing endothelin.

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Benzofuran – Wikipedia,
Benzofuran | C8H2071O – PubChem

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Gas-Phase Substituent Effects in Stabilized Benzylic Carbocations. Basicities of Benzaldehydes, Acetophenones, and Methyl Benzoates in the Gas Phase

The gas-phase basicities of a series of aromatic carbonyl compounds (ArCOR; R=OMe, Me, H) were measured based on the proton-transfer equilibrium method using a pulsed ICR mass spectrometer. The effects of ring-substituents on the gas-phase basicities were analyzed in terms of the Yukawa-Tsuno equation. It was shown that the resonance demand parameter (r+) decreases significantly from 1.06 for the benzaldehyde to 0.50 for the methyl benzoate in increasing order of the electron-donating ability of the R group directly linked to the carbonyl carbon. This indicates that the pi-charge formed in the conjugate acid ion is competitively delocalized into an aryl group and an R group. In contrast, the p value is nearly constant at -11 (in kcal mol-1 per sigma= unit) in all series. Most importantly, it was found that the r+ value in the gas phase is in agreement with that for the basicities in aqueous solution, whereas the p value is significantly reduced in aqueous solution. This fact led us to the conclusion that the solvation of a cation reduces the central charge so as to lower the response to substituent perturbation, essentially without changing the nature of the intramolecular charge-delocalization.

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Benzofuran – Wikipedia,
Benzofuran | C8H2087O – PubChem

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COMPOUNDS HAVING BOTH ALPHA-7 NICOTINIC AGONIST ACTIVITY AND 5HT3 ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES

The invention discloses compounds that are selective alpha7 nAChR agonists and 5-HT3 antagonists. The compounds are useful for treating many CNS diseases.

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Benzofuran – Wikipedia,
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Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents

This invention provides a compound of the following formula: or the pharmaceutically acceptable salts thereof wherein A is C 1-6 alkylene or ?NR1?; Z is C(=L)R2, or SO2R3; U is CH or N; W and Y are independently selected from ?CH2?, O, S and ?N?R1; m is 1, 2 or 3; q and r are independently 0, 1 or 2; X is independently selected from halogen, C1-4 alkyl, halo-substituted C1-4 alkyl, hydroxy, C1-4 alkoxy, halo-substituted C1-4 alkoxy or the like; n is 1 or 2; L is oxygen or sulfur; R1 is hydrogen or C1-4 alkyl; R2 is hydroxy, C1-6alkyl, halo-substituted C1-6 alkyl, C1-6 alkoxy, halo-substituted C1-6 alkoxy, C3-7 cycloalkoxy, C1-4 alkyl(C3-7 cycloalkoxy), ?NR4R5 or the like; R3 is C1-6 alkyl or halo-substituted C1-6 alkyl; and R4 and R5 are independently selected from hydrogen, C1-6 alkyl and halo-substituted C1-6alkyl.This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2058O – PubChem