1398523-54-0

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 635-93-8 5-chlorosalicyclaldehyde 
• 445-27-2 2'-Fluoroacetophenone 

Downstream Products

• 1428871-51-5 [6-chloro-2-(4-fluorophenyl)-4H-chromen-4-yl]malononitrile 
• 1049117-55-6 C₁₅H₁₂ClFN₂O 
• 1398523-33-5 C₁₇H₁₄ClFN₂O₂ 

Relevant academic research and scientific papers

2-aminobenzopyran compound and application thereof in pesticide

The invention relates to a 2-aminobenzopyran compound and application thereof in pesticides, and belongs to the technical field of pesticides. The technical problem to be solved by the invention is to provide the 2-aminobenzopyran compound which can be used as an insecticide and a bactericide. The structural general formula of the benzopyran compound is as shown in formula I. In the formula I, R1 is a hydrogen atom, a halogen atom or C1-C4 alkyl; R2 is a halogen atom, a C1-C4 alkyl group or a C1-C4 alkoxy group; and R3 is a halogen atom, a C1-C4 alkyl group or a C1-C4 alkoxy group. The compound disclosed by the invention is simple in synthesis process, has a relatively good poisoning effect on pests, has a relatively good inhibition effect on plant pathogenic bacteria, and lays a relatively good foundation for creation of novel pesticides.

Benzopyran compound and application thereof in pesticides

The invention relates to a benzopyran compound and application thereof in pesticides, and belongs to the technical field of pesticides. The technical problem to be solved by the invention is to provide the benzopyran compound which can be used as an insecticide and a bactericide. The structural general formula of the benzopyran compound is as shown in formula I in the specification, wherein R1 is a hydrogen atom, a halogen atom, a C1-C4 alkyl group or a C1-C4 alkoxy group; and R2 is a hydrogen atom, a halogen atom, a C1-C4 alkyl group or a C1-C4 alkoxy group. The compound disclosed by the invention is simple in synthesis process, has a relatively good poisoning effect on pests, has a relatively good inhibition effect on plant pathogenic bacteria, and lays a relatively good foundation for creation of novel pesticides.

Design, Synthesis, Biological Evaluation, and Molecular Modeling of Novel 4H-Chromene Analogs as Potential Succinate Dehydrogenase Inhibitors

Thirty-one new 4H-chromene derivatives were designed and synthesized. Their structures were identified with IR,1H NMR,13C NMR, and HRMS. The crystal structure of compound2awas determined by single-crystal X-ray diffraction. Their ant

Tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one scaffold derivatives: Synthesis and biological evaluation as selective BuChE inhibitors

BuChE inhibitors play important roles in treatment of patients with advanced Alzheimer's disease (AD). A series of tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one derivatives were synthesized and evaluated as acetylcholinesterase (AChE) and butyrylch

Novel tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one: Design, synthesis, model and use as hMAO-B inhibitors

Based on our recently reported selective hMAO-A inhibitors, on which, the intramolecular cyclization led to a very interesting change of isoform selectivity. A series of selective hMAO-B inhibitors (3a-3u) with novel scaffold of tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one were designed and synthesized. Compound 3u (IC50 = 221 nM) exhibited the best inhibitory activity and isoform selectivity against hMAO-B, superior to selegiline (IC50 = 321 nM), which is a commercial selective hMAO-B inhibitor used to Parkinson's disease. Modeling study indicated that the selectivity of our compounds to hMAO-B is determined by at least two residues, i.e., Ile 199 and Cys 172 (or corresponded Phe 208 and Asn 181 of hMAO-A). These data support further studies to assess rational design of more efficiently selective hMAO-B inhibitors.

Design and synthesis of novel 2-pyrazoline-1-ethanone derivatives as selective MAO inhibitors

Thirty seven novel 2-pyrazoline-1-ethanone derivatives were designed, synthesized and evaluated as selective hMAO inhibitors. Among them, compounds 7h (IC50 = 2.40 μM) and 12c (IC50 = 2.00 μM) exhibited best inhibitory activity and selectivity against hMAO-A, surpassing that of the positive control Clorgyline (IC50 = 2.76 μM). Based on selective activity of hMAO-A, SAR analysis showed that the order of N1 substituent contribution was bromo (3) > piperidinyl (4) > morpholinyl (5) > imidazolyl (6), and compounds with electron-withdrawing substituents (-F, -Cl) at C3 or C5 phenyl ring of 2-pyrazoline nucleus dedicated stronger MAO-A inhibitory activity. Molecular docking showed that compounds 7h and 12c were nicely bound to hMAO-A via two hydrogen bonds (SER209, GLU216), one Pi-Pi interaction and three hydrogen bonds (SER209, GLU216, TYR69), one Sigma-Pi interaction, respectively. In addition, the substituent at C3 position of 2-pyrazoline with the N1 acetyl has little effect on MAO-A inhibitory activity. These data support further studies to assess rational design of more efficiently selective hMAO inhibitors in the future.

Synthesis, biological evaluation of novel 4,5-dihydro-2H-pyrazole 2-hydroxyphenyl derivatives as BRAF inhibitors

A series of novel 4,5-dihydropyrazole derivatives (3a-3t) containing hydroxyphenyl moiety as potential V600E mutant BRAF kinase (BRAF V600E) inhibitors were designed and synthesized. Docking simulation was performed to insert compounds 3d (1-(5-(5-chloro-2-hydroxyphenyl)-3-(p- tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone) and 3m (1-(3-(4-chlorophenyl)-5-(3, 5-dibromo-2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone) into the crystal structure of BRAFV600E to determine the probable binding model, respectively. Based on the preliminary results, compound 3d and 3m with potent inhibitory activity in tumor growth may be a potential anticancer agent. Results of the bioassays against BRAFV600E, MCF-7 human breast cancer cell line and WM266.4 human melanoma cell line all showed several compounds had potent activities IC50 value in low micromolar range, among them, compound 3d and compound 3m showed strong potent anticancer activity, which were proved by that 3d: IC50 = 1.31 μM for MCF-7 and IC50 = 0.45 μM for WM266.5, IC50 = 0.22 μM for BRAFV600E, 3m: IC50 = 0.97 μM for MCF-7 and IC50 = 0.72 μM for WM266.5, IC50 = 0.46 μM for BRAFV600E, which were comparable with the positive control Erlotinib.