7120-41-4

Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 5-bromo-2-methoxybenzoate is utilized as an intermediate in the synthesis of various pharmaceuticals. Its unique structure and functional groups contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
methyl 5-bromo-2-methoxybenzoate also finds application in the production of agrochemicals, where it acts as an intermediate in the synthesis of various agricultural chemicals, enhancing crop protection and productivity.
Used in Organic Chemistry Research:
Methyl 5-bromo-2-methoxybenzoate is employed as a reagent in the preparation of various esters and ethers through esterification and Williamson ether synthesis reactions. Its role in these reactions is instrumental in advancing the field of organic chemistry and the discovery of new organic compounds.
Used in Drug Discovery:
As a versatile compound with a wide range of applications, methyl 5-bromo-2-methoxybenzoate is used in drug discovery for the development of novel therapeutic agents. Its diverse reactivity and functional groups make it an essential component in the synthesis of complex organic molecules with potential medicinal properties.

InChI:InChI=1/C9H9BrO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3

Upstream product

• 4068-76-2 5-bromo-2-hydroxy-benzoic acid methyl ester 
• 74-88-4 methyl iodide 
• 89-55-4 5-bromosalicyclic acid 
• 606-45-1 2-methoxybenzoic acid methyl ester 
• 67-56-1 methanol 
• 2476-35-9 5-bromo-2-methoxybenzoic acid 
• 104-92-7 1-bromo-4-methoxy-benzene 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 1638291-19-6 5-bromo-2-methoxy-N-methyl-N-(4-methylbenzenesulfonyl)benzenecarboxamide 
• 612-16-8 (2-methoxyphenyl)methanol 
• 77-78-1 dimethyl sulfate 
• 135-02-4 ortho-anisaldehyde 

Downstream Products

• 26561-07-9 2',4'-Dimethoxy-diphenylaether-3,4'-dicarbonsaeure-dimethylester 
• 148014-81-7 C₁₈H₁₈O₇ 
• 202822-79-5 5-(1H-imidazol-1-yl)-2-methoxybenzoic acid methyl ester 
• 24123-34-0 5-bromo-2-methoxy benzohydrazide 
• 338385-91-4 2-(5-bromo-2-methoxyphenyl)propan-2-ol 
• 1443151-66-3 2-[5-(4-{[2-(4-fluorophenyl)ethyl]amino}-6-methoxy-1,3,5-triazin-2-yl)-2-methoxyphenyl]propan-2-ol 
• 1443152-02-0 4-{[2-(4-fluorophenyl)ethyl]amino}-6-[3-(1-hydroxy-1-methylethyl)-4-methoxyphenyl]-1,3,5-triazin-2-ol 
• 1443152-03-1 tert-butyl [2-(4-fluorophenyl)ethyl]{4-hydroxy-6-[3-(1-hydroxy-1-methylethyl)-4-methoxyphenyl]-1,3,5-triazin-2-yl}carbamate 
• 1443152-04-2 tert-butyl {4-(Fluoromethoxy)-6-[3-(1-hydroxy-1-methylethyl)-4-methoxyphenyl]-1,3,5-triazin-2-yl}[2-(4-fluorophenyl)ethyl]carbamate 
• 1443151-80-1 2-{5-[4-(Fluoromethoxy)-6-{[2-(4-fluorophenyl)ethyl]amino}-1,3,5-triazin-2-yl]-2-methoxyphenyl}propan-2-ol 
• 1443151-90-3 2-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol 
• 87188-70-3 methyl 5-(tert-butyl)-2-methoxybenzoate 
• 1623061-09-5 4,4′′-dihydroxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylic acid 
• 1373438-22-2 (E)-N'-(1-(1H-indol-2-yl)ethylidene)-5-bromo-2-methoxybenzohydrazide 

Relevant academic research and scientific papers

MODIFIED PROTEINS AND PROTEIN DEGRADERS

Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are compounds having a DNA damage-binding protein 1 (DDB1) binding moiety. Some such embodiments include a linker. Some such embodiments include a target protein binding moiety. Further provided herein are ligand-DDB1 complexes. Further provided herein are in vivo modified DDB1 proteins.

Triptycenyl Sulfide: A Practical and Active Catalyst for Electrophilic Aromatic Halogenation Using N-Halosuccinimides

A Lewis base catalyst Trip-SMe (Trip = triptycenyl) for electrophilic aromatic halogenation using N-halosuccinimides (NXS) is introduced. In the presence of an appropriate activator (as a noncoordinating-anion source), a series of unactivated aromatic compounds were halogenated at ambient temperature using NXS. This catalytic system was applicable to transformations that are currently unachievable except for the use of Br2 or Cl2: e.g., multihalogenation of naphthalene, regioselective bromination of BINOL, etc. Controlled experiments revealed that the triptycenyl substituent exerts a crucial role for the catalytic activity, and kinetic experiments implied the occurrence of a sulfonium salt [Trip-S(Me)Br][SbF6] as an active species. Compared to simple dialkyl sulfides, Trip-SMe exhibited a significant charge-separated ion pair character within the halonium complex whose structural information was obtained by the single-crystal X-ray analysis. A preliminary computational study disclosed that the πsystem of the triptycenyl functionality is a key motif to consolidate the enhancement of electrophilicity.

Cooperative Carbon Dioxide Adsorption in Alcoholamine- and Alkoxyalkylamine-Functionalized Metal–Organic Frameworks

A series of structurally diverse alcoholamine- and alkoxyalkylamine-functionalized variants of the metal–organic framework Mg2(dobpdc) are shown to adsorb CO2 selectively via cooperative chain-forming mechanisms. Solid-state NMR spec

Sulfonamide compound and medical applications thereof

The invention discloses a compound containing a sulfonamide structure, a preparation method thereof, and medical applications of the compound, and more specifically discloses the compound with a structure represented by formula I, and a pharmaceutically acceptable salt or a prodrug or a solvate thereof. The compound is used for tumor treatment through inhibiting ATP-citrate lyase.

Design, synthesis, and preliminary biological evaluation of 3′,4′,5′-trimethoxy flavonoid salicylate derivatives as potential anti-tumor agents

According to the pharmacophore combination principle, a set of new 3′,4′,5′-trimethoxy flavonoid salicylate derivatives were designed, synthesized, and evaluated for biological activity. The cytotoxicity evaluation revealed that compound 10v exhibited higher potency than 5-Fu against HCT-116 cells. Preliminary biological activity studies showed that compound 10v could inhibit the colony formation and migration of HCT-116 cells. Besides, the Hoechst 33258 staining assay and flow cytometry revealed that treatment with compound 10v induced the apoptosis of HCT-116 cells in a concentration-dependent manner, while it had no effect on their cell cycle. The WB analysis suggested that HIF-1α, tubulin, HK-2, and PFK might be the potential pharmacophore targets of compound 10v. Tubulin was a potential drug target for compound 10v, which was explained by analyzing the crystal structure of compound 10v complexed with tubulin. These results indicated that compound 10v might be a promising anti-tumor agent candidate, deserving further optimization and evaluation.

Structure-Guided Synthesis and Mechanistic Studies Reveal Sweetspots on Naphthyl Salicyl Hydrazone Scaffold as Non-Nucleosidic Competitive, Reversible Inhibitors of Human Ribonucleotide Reductase

Ribonucleotide reductase (RR), an established cancer target, is usually inhibited by antimetabolites, which display multiple cross-reactive effects. Recently, we discovered a naphthyl salicyl acyl hydrazone-based inhibitor (NSAH or E-3a) of human RR (hRR) binding at the catalytic site (C-site) and inhibiting hRR reversibly. We herein report the synthesis and biochemical characterization of 25 distinct analogs. We designed each analog through docking to the C-site of hRR based on our 2.7 ? X-ray crystal structure (PDB ID: 5TUS). Broad tolerance to minor structural variations preserving inhibitory potency is observed. E-3f (82% yield) displayed an in vitro IC50 of 5.3 ± 1.8 μM against hRR, making it the most potent in this series. Kinetic assays reveal that E-3a, E-3c, E-3t, and E-3w bind and inhibit hRR through a reversible and competitive mode. Target selectivity toward the R1 subunit of hRR is established, providing a novel way of inhibition of this crucial enzyme.

Hydroxybiphenylamide GroEL/ES Inhibitors Are Potent Antibacterials against Planktonic and Biofilm Forms of Staphylococcus aureus

We recently reported the identification of a GroEL/ES inhibitor (1, N-(4-(benzo[d]thiazol-2-ylthio)-3-chlorophenyl)-3,5-dibromo-2-hydroxybenzamide) that exhibited in vitro antibacterial effects against Staphylococcus aureus comparable to vancomycin, an antibiotic of last resort. To follow up, we have synthesized 43 compound 1 analogs to determine the most effective functional groups of the scaffold for inhibiting GroEL/ES and killing bacteria. Our results identified that the benzothiazole and hydroxyl groups are important for inhibiting GroEL/ES-mediated folding functions, with the hydroxyl essential for antibacterial effects. Several analogs exhibited >50-fold selectivity indices between antibacterial efficacy and cytotoxicity to human liver and kidney cells in cell culture. We found that MRSA was not able to easily generate acute resistance to lead inhibitors in a gain-of-resistance assay and that lead inhibitors were able to permeate through established S. aureus biofilms and maintain their bactericidal effects.

TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

Described herein are tricyclic compounds with phosphoinositide-3 kinase (PI3K) modulation activity or function having the Formula I structure: or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, and with the substituents and structural features described herein. Also described are pharmaceutical compositions and medicaments that include the Formula I compounds, as well as methods of using such PI3K modulators, alone and in combination with other therapeutic agents, for treating diseases or conditions that are mediated or dependent upon PI3K dysregulation.

COMPOUND HAVING ZNF143 INHIBITORY ACTIVITY AND USE THEREOF

PROBLEM TO BE SOLVED: To provide a compound having a ZNF143 inhibitory activity as well as to provide a ZNF143 inhibitory agent and pharmaceutical composition containing the same. SOLUTION: Provided is a compound represented by formula (I) or a salt thereof as well as a ZNF143 inhibitory agent containing the same and a pharmaceutical composition having the same as an active ingredient. A-B-C-D (I)[A is H, a methyl group, a naphthyl group, a phenyl group or a nitrogen-containing heterocyclic ring; B is as shown below, and C is an amide bond or a heteroaromatic ring containing N and O; D is a substituted/unsubstituted phenyl group or a monocyclic heteroaromatic ring containing N or S; and C and D are both fused heterocyclic ring or the like optionally having a substituent group.]. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2016,JPOandINPIT

Pore Environment Effects on Catalytic Cyclohexane Oxidation in Expanded Fe2(dobdc) Analogues

Metal-organic frameworks are a new class of heterogeneous catalysts in which molecular-level control over both the immediate and long-range chemical environment surrounding a catalytic center can be readily achieved. Here, the oxidation of cyclohexane to