72135-36-5

Basic information

• Product Name: 4-BROMO-2-METHOXYBENZOIC ACID
• Synonyms: 4-BROMO-2-METHOXYBENZOIC ACID;2-Methoxy-4-bromobenzoic acid;5-Bromo-2-carboxyanisole;Benzoic acid,4-broMo-2-Methoxy-
• CAS NO: 72135-36-5
• Molecular Formula: C₈H₇BrO₃
• Molecular Weight: 231.04
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates;Bromine Compounds
• Mol File: 72135-36-5.mol

Chemical Properties

• Melting Point: 155-159°C
• Boiling Point: 318.077 °C at 760 mmHg
• Flash Point: 146.168 °C
• Appearance: /
• Density: 1.625 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.584
• Storage Temp.: Room temperature.
• PKA: 3.86±0.10(Predicted)
• CAS DataBase Reference: 4-BROMO-2-METHOXYBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-METHOXYBENZOIC ACID(72135-36-5)
• EPA Substance Registry System: 4-BROMO-2-METHOXYBENZOIC ACID(72135-36-5)

Safety Data

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: IRRITANT
• PackingGroup: Ⅲ
• Hazardous Substances Data: 72135-36-5(Hazardous Substances Data)

Usage

Chemical Properties

Pale yellow liquid

InChI:InChI=1/C8H7BrO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Upstream product

• 89368-12-7 1-[4-bromo-2-(methyloxy)phenyl]ethanone 
• 43192-33-2 4-bromo-2-methoxybenzaldehyde 
• 30186-18-6 4'-bromo-2'-hydroxyacetophenone 
• 139102-34-4 methyl 4-bromo-2-methoxybenzoate 
• 330793-38-9 4-bromo-2-methoxybenzonitrile 
• 1666-28-0 4-bromosalicylic acid 
• 74-88-4 methyl iodide 
• 67-56-1 methanol 
• 112704-79-7 2-fluoro-4-bromobenzoic acid 

Downstream Products

• 89075-38-7 2-(4-Bromo-2-methoxy-phenyl)-3H-imidazo[4,5-c]pyridine; hydrochloride 
• 139102-34-4 methyl 4-bromo-2-methoxybenzoate 
• 1464150-73-9 4-(6-(2-hydroxy-4-(4-methylpiperazine-1-carbonyl)phenyl)imidazo[1,2-a]pyrazin-3-yl)benzonitrile 
• 1231191-67-5 N'-acetyl-4-bromo-2-methoxybenzohydrazide 
• 72135-35-4 2-methoxy-4-bromo-5-chlorosulphonyl-benzoic acid 
• 89384-00-9 2-(4-bromo-2-methoxyphenyl)-4,4-dimethyl-4,5-dihydro-oxazole 
• 1666-28-0 4-bromosalicylic acid 
• 194928-58-0 4-formyl-2-methoxybenzoic acid 

Relevant articles and documents

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.

HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE

This invention relates to novel compounds and pharmaceutical compositions comprising. Compounds of the invention useful as modulators of Rho-associated protein kinase (ROCK), for example ROCK1 and/or ROCK2 inhibitors. Methods of treatment employing the compounds are also contemplated by the present invention. The compounds of the invention are useful in treating ROCK mediated diseases.

HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS

The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design

β-Secretase (BACE1), the enzyme responsible for the first and rate-limiting step in the production of amyloid-β peptides, is an attractive target for the treatment of Alzheimer's disease. In this study, we report the application of the de novo fragment-based molecular design program SPROUT to the discovery of a series of nonpeptide BACE1 inhibitors based upon a biphenylacetamide scaffold. The binding affinity of molecules based upon this designed molecular scaffold was increased from an initial BACE1 IC50 of 323 μM to 27 μM following the synthesis of a library of optimized ligands whose structures were refined using the recently developed SPROUT-HitOpt software. Although a number of inhibitors were found to exhibit cellular toxicity, one compound in the series was found to have useful BACE1 inhibitory activity in a cellular assay with minimal cellular toxicity. This work demonstrates the power of an in silico fragment-based molecular design approach in the discovery of novel BACE1 inhibitors.

CYCLIC AMIDE DERIVATIVE

Provided is a compound represented by formula (1) or a pharmacologically acceptable salt thereof. (In the formula, A is C6-10 arylene, etc.; R1a, R1b and R1c each independently is a hydrogen atom, a halogen atom, a C1-4 alkyl group, a C1-4 alkoxy group, etc.; R2 is an optionally substituted C6-10 aryl group, an optionally substituted 5- to 12-membered monocyclic or polycyclic heteroaryl group, an optionally substituted C7-16 aralkyl group, etc.; m is 0, etc.; n is an integer of 0 to 2.)

NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE

Provided are a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2, as well as a prophylactic/therapeutic drug for autoimmune diseases or osteoarthritis

TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE

According to the invention there is provided a compound of formula I or a pharmaceutically acceptable salt or hydrate thereof; wherein the variables are as defined herein. The compounds selectively attenuate the production of A?42 and hence are useful in treatment of Alzheimer's disease and related conditions.

Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human β3-adrenergic receptor agonists with good oral bioavailability. Part I

A novel class of biphenyl analogues containing a benzoic acid moiety based on lead compound 8i have been identified as potent and selective human β3 adrenergic receptor (β3-AR) agonists with good oral bioavailability and long plasma half-life. After further substituent effects were investigated at the terminal phenyl ring of lead compound 8i, we have discovered that more lipophilic substitution at the R position improved potency and selectivity. As a result of these studies, 10a and 10e were identified as the leading candidates with the best balance of potency, selectivity, and pharmacokinetic profiles. In addition, compounds 10a and 10e were evaluated to be efficacious for a carbachol-induced increase of intravesical pressure, such as an overactive bladder model in anesthetized dogs. This represents the first demonstrated result dealing with β3- AR agonists.

SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS

The present invention relates to a class of substituted triazoles of formula (I) with activity as oxytoci antagonists, uses thereof, processes for the preparation thereof and compositions containing sai inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction particularly premature ejaculation (P.E.).

Pyrazolopyrimidines as therapeutic agents

The present invention is directed to pyrazolopyrimidine derivatives of formula (I) wherein the substituents are defined herein, which are useful as kinase inhibitors and as such are useful for affecting angiogenesis and diseases and conditions associated with angiogenesis.