• 대한화학회지
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• 제55권2호
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• pp.243-250
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• 2011

Isoxazole계 화합물을 합성하고 항균활성연구를 수행하였다. 3-Di(alkylamino)acryloalkanones을 hydroxylamine hydrochloride 또는 hydroxylamine-O-sulphonic acid와 반응시켜서 target isoxazole계 화합물을 합성하였다.

• 통합자연과학논문집
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• 제7권3호
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• pp.159-165
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• 2014

Pyrazole, hydroxyimino, aldehyde and isoxazole derivatives exhibit a broad spectrum of biological activities such as antimicrobial, anti-inflammatory and antitumor activities. With growing application on their synthesis and bioactivity, chemists and biologists in recent years have considerable attention on the research of these derivatives. In the view of potential importance of these derivatives, we have crystallized few of the derivatives and its report has been published. The present study focuses on docking studies of these derivatives against Phospholipases $A_2$ enzyme. This enzymes has implicated as potential targets for anti-inflammatory drug design. co-crystal structure (PDB ID: 1POE) of $PLA_2$ deposited in Protein Data Bank has been retrieved for docking analysis. Docking studies using Schrodinger's GLIDE reveals that these derivatives shows better binding energy and score in the defined active site. These results may provide a guiding role to design a lead molecule which may reduce inflamation.

• 약학회지
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• 제34권2호
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• pp.80-87
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• 1990

3-Substituted 5-aminoisoxazole-4-carboxylates were prepared by the reaction of corresponding bormoaldoximes with cyanoacetate. The 3-trifluoromethylisoxazole derivatives were acylated to amides with various aminopyridine derivatives to afford diamides. The ester group was hydrolyzed and decarboxylated easily to give 3-trifluoromethyl-5-aminoisoxazole. The aminoisoxazole was also converted to amides. 5-Amino-3-trifluoromethylisoxazole-5-one-4-carboxylate was prepared by the reaction of trifluoroacetoaldoximoyl bromide and malonate. 5-Amino-3-methylisoxazole-5-one-4-acetate was prepared by the reaction of hydroxylamine and acetylmalonate. The synthesized compounds were tested for antiinflammatory activities.

• Archives of Pharmacal Research
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• 제15권4호
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• pp.317-321
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• 1992

Furoyldroximoyl chloride 3d reacted with 2-aminopyridine, 2-aminopyrimidine. O-aminophenol, O-phenylenediamine and aminothiophenol to afford imidazo [1, 2-a]pyridine 6. imidazo[1, 2-a]pyrimidine 8, benzoxadiazine 10, nitrosobenzopyrizine 13a and nitrosobenzothiazine 13b, respectively. Isoxazoline 18 and pyrrolidino[3, 4-d]isoxazolin-4, 6-dione derivatives 19a and 19b obtained by the reaction of 3 with acrylonitrile and N-arylmaleimide. Hydroximoyl chloride 3 reacted with thiophenol and sodium benzene-sulfinate to yield furylglyoxaloxime 16a and 16b, respectively. Hydroximoyl chloride 3 reacted also with some active methylene compound to give isoxazole derivatives 20-23, respectively.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.666-668
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• 2014

• Bulletin of the Korean Chemical Society
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• 제30권4호
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• pp.779-780
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• 2009

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.437-442
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• 2013

A new series of 4-(2-(substituted)pyridin-4-yl)-3-(3-methoxy-5-methylphenyl)-1H-pyrazoles (4a-f) and their 1,2-isoxazole analogues (5a-f) has been rationally designed, synthesized and screened against both ROS and MAPK14 kinases. Compounds 4b, 4c and 4e showed moderate inhibitions against both ROS and MAPK14 kinases. Compound 4e has showed the strongest inhibitions with IC50 values of 1.25 ${\mu}M$ and 3.00 ${\mu}M$ against ROS and MAPK14 kinases, respectively. A brief structure-activity relationship study and a molecular modeling study were made revealing a group of essential structural features for good kinase inhibitory activity within this new class of kinase inhibitors.

• Bulletin of the Korean Chemical Society
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• 제30권8호
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• pp.1873-1876
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• 2009

• 대한화학회지
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• 제42권4호
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• pp.369-377
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• 1998

이소옥사졸과 그의 유도체가 배위된 팔라듐(II) 및 백금(II)착물$([M(L)_2X_2]$, M=Pd(II), Pt(II); L=isoxazole(isox), 3,5-dimethylisoxazole(3,5-diMeisox), 3-methyl, 5-phenylisoxazole(3-Me, 5-Phisox), and 4-am-ino 3,5-dimethylisoxazole(4-ADI); X=Cl, Br)의 항암활성을 분자역학(MM2)법으로 최소에너지를 갖는 구조를 구한 후 확장분자궤도함수(EHMO)법으로 조사하였다. 중심금속의 $d_x^{2-}_y^2$ 궤도함수와 할로겐 원자의 $p_x$ 궤도함수 사이의 ${\sigma}MO$ 에너지준위$(E_{{\sigma}(Pd,Pt-X)})$가 질소원자의 $p_x$ 궤도함수 사이의 ${\sigma}MO$ 에너지준위 $(E_{\sigma}(Pd,Pt-N))$보다 예외없이 더 높아서 결합이 약함을 알 수 있었다. 아울러 같은 착물에서 cis- 보다 trans-착물에서 $(E_{\sigma}(Pd,Pt-X))$ 값이 더 높아서 결합이 약함을 알았다. 또한 평면형 리간드가 배위될 경우 cis-, trans- 이성체 모두 백금착물에서보다 팔라듐착물에서 $X^-$ 이온의 이탈이 더 용이했다. 다라서 $X^-$ 이온으로 떨어져 나가는 용이성이 항암활성과 어떤 관계가 있을 것으로 생각하고 $E_{{\sigma}(Pd,Pt-N)}-E_{{\sigma}(Pd,Pt-X)}({\Delta}E_{{\sigma}(N-X)})$과 저해활성 계수인 logIA의 값를 도시하였던바 실험치와 상관 계수가 0.96인 좋은 직선성이 성립함을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제18권5호
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• pp.534-540
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• 1997

4H,6H-Furo[3,4-c]isoxazoles (Ⅰ-Ⅳ), potential fungicides, have been designed and synthesized via intramolecular [2+3] cycloaddition of nitroalkyne 3 as a key step. The broad spectrum of fungicidal activities of furoisoxazoles (Ⅰ-Ⅳ) were observed on plant pathogens at 250 ppm. Furoisoxazoles Ⅱ, Ⅲ with chlorophenyl at 6-position and methyl or alkylated oxime group at 3-position gave effective control of plant diseases. The furoisoxazole Ⅳ with a chlorophenyl group at 4-position also resulted in high fungicidal activities.