40640-97-9

Basic information

• Product Name: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER
• Synonyms: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER;Benzenepropanoic acid, 3-broMo-, ethyl ester
• CAS NO: 40640-97-9
• Molecular Formula: C₁₁H₁₃BrO₂
• Molecular Weight: 257.12372
• Mol File: 40640-97-9.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 303.398°C at 760 mmHg
• Flash Point: 137.29°C
• Appearance: /
• Density: 1.343g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.53
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER(40640-97-9)
• EPA Substance Registry System: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER(40640-97-9)

Safety Data

• Hazardous Substances Data: 40640-97-9(Hazardous Substances Data)

Usage

General Description

3-(3-Bromo-phenyl)-propionic acid ethyl ester is a chemical compound that belongs to the class of organic compounds known as phenylpropanoic acids. It is commonly used as an intermediate in the synthesis of pharmaceutical drugs and agrochemicals. 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER has a molecular formula of C11H13BrO2 and a molecular weight of 255.13 g/mol. It is a white to off-white solid at room temperature and is considered to be moderately soluble in water. 3-(3-Bromo-phenyl)-propionic acid ethyl ester is also known by its chemical name ethyl 3-(3-bromophenyl)propionate and is used in various industrial applications as a chemical intermediate for the production of other compounds.

InChI:InChI=1/C11H13BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3

Upstream product

• 3054-95-3 acrylaldehyde diethyl acetal 
• 591-18-4 1-Bromo-3-iodobenzene 
• 64-17-5 ethanol 
• 42287-90-1 3-(3-bromophenyl)propanoic acid 
• 24398-80-9 ethyl 3-bromo-cinnamate 
• 3132-99-8 m-bromobenzoic aldehyde 
• 108-36-1 1,3-dibromobenzene 
• 140-88-5 ethyl acrylate 

Downstream Products

• 65537-54-4 3-(3-bromophenyl)-propan-1-ol 
• 935854-36-7 ethyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-propionate 
• 1347747-10-7 C₂₇H₂₄F₃NO₄ 
• 883892-39-5 3-(3-furan-2-yl-phenyl)-propionic acid ethyl ester 

Relevant articles and documents

Discovery and SAR of Natural-Product-Inspired RXR Agonists with Heterodimer Selectivity to PPARδ-RXR

A known natural product, magnaldehyde B, was identified as an agonist of retinoid X receptor (RXR) α. Magnaldehyde B was isolated from Magnolia obovata (Magnoliaceae) and synthesized along with more potent analogs for screening of their RXRα agonistic activities. Structural optimization of magnaldehyde B resulted in the development of a candidate molecule that displayed a 440-fold increase in potency. Receptor-ligand docking simulations indicated that this molecule has the highest affinity with the ligand binding domain of RXRα among the analogs synthesized in this study. Furthermore, the selective activation of the peroxisome proliferator-activated receptor (PPAR) δ-RXR heterodimer with a stronger efficacy compared to those of PPARα-RXR and PPARγ-RXR was achieved in luciferase reporter assays using the PPAR response element driven reporter (PPRE-Luc). The PPARδactivity of the molecule was significantly inhibited by the antagonists of both RXR and PPARδ, whereas the activity of GW501516 was not affected by the RXR antagonist. Furthermore, the molecule exhibited a particularly weak PPARδagonistic activity in reporter gene assays using the Gal4 hybrid system. The obtained data therefore suggest that the weak PPARδagonistic activity of the optimized molecule is synergistically enhanced by its own RXR agonistic activity, indicating the potent agonistic activity of the PPARδ-RXR heterodimer.

Biphenyl compound as well as preparation method and medical application thereof

The invention discloses a biphenyl compound as well as a preparation method and medical application thereof, the structure of the biphenyl compound is shown as a formula (I) or a formula (II), and thebiphenyl compound or pharmaceutically acceptable salt, tautomer, meso-isomer, raceme, stereoisomer, metabolite, metabolite precursor, prodrug or solvate thereof is a PD-L1 inhibitor. The compound hasa remarkable inhibiting effect on the interaction of PD-1 and PD-L1 protein, so that the compound can be applied to the preparation of PD-L1 inhibitors and immunomodulator drugs for preventing or treating tumors, autoimmune diseases, organ transplant rejection, infectious diseases and inflammatory diseases.

3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors

New pyridazin-3(2H)-one derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of the phosphodiesterase IV (PDE4).