70110-38-2

Basic information

• Product Name: 2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE
• Synonyms: CHEMBRDG-BB 4023675;2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE;AKOS BB/0111;AKOS BBB/463;acetamide, 2-bromo-N-(1-phenylethyl)-;2-bromo-N-(1-phenylethyl)acetamide(SALTDATA: FREE);2-bromo-N-(1-phenylethyl)ethanamide;ALD-N013385
• CAS NO: 70110-38-2
• Molecular Formula: C₁₀H₁₂BrNO
• Molecular Weight: 242.11
• Mol File: 70110-38-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 373.345°C at 760 mmHg
• Flash Point: 179.593°C
• Appearance: /
• Density: 1.382g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: 2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE(70110-38-2)
• EPA Substance Registry System: 2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE(70110-38-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 70110-38-2(Hazardous Substances Data)

Usage

General Description

2-Bromo-N-(1-Phenyl-Ethyl)-Acetamide is a chemical compound that belongs to the class of organic compounds known as bromoanilines. These are organic compounds in which the bromine atom is linked to one carbon atom of an aniline group. The molecular formula of this chemical is C10H12BrNO and it has a molecular weight of 244.11 g/mol. 2-BROMO-N-(1-PHENYL-ETHYL)-ACETAMIDE is characterized by the presence of a bromine atom, a phenyl group, an ethyl group, and an acetamide moiety. It may be used in various chemical reactions due to its structural features. As it is less common, information about its safety, environmental impact, or commercial uses is not readily available. It's critical to handle this compound using standard chemical safety procedures.

InChI:InChI=1/C10H12BrNO/c1-8(12-10(13)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)

Upstream product

• 598-21-0 2-Bromoacetyl bromide 
• 618-36-0 rac-methylbenzylamine 
• 22118-09-8 2-bromoacetyl chloride 

Downstream Products

• 65210-10-8 diethoxyphosphoryl-N-(1-phenylethyl)acetamide 
• 144100-75-4 C₁₀H₁₂N₄O 

Relevant articles and documents

Design, synthesis and biological evaluation of novel Pseudomonas aeruginosa DNA gyrase B inhibitors

In the present study, we attempted to develop a novel class of compounds active against Pseudomonas aeruginosa (Pa) by exploring the pharmaceutically well exploited enzyme targets. Since, lack of Pa gyrase B crystal structures, Thermus thermophilus gyrase B in complex with novobiocin (1KIJ) was used as template to generate model structure by performing homology modeling. Further the best model was validated and used for high-throughput virtual screening, docking and dynamics simulations using the in-house database for identification of Pa DNA gyrase B inhibitors. This study led to an identification of three lead molecules with IC50 values in range of 6.25–15.6 μM against Pa gyrase supercoiling assay. Lead-1 optimization and expansion resulted in 15 compounds. Among the synthesized compounds six compounds were shown good enzyme inhibition than Lead-1 (IC50 6.25 μM). Compound 13 emerged as the most potential compound exhibiting inhibition of Pa gyrase supercoiling with an IC50 of 2.2 μM; and in-vitro Pa activity with MIC of 8 μg/mL in presence of efflux pump inhibitor; hence could be further developed as novel inhibitor for Pa gyrase B.

Salicylic acid based small molecule inhibitor for the oncogenic src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)

The Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) plays a pivotal role in growth factor and cytokine signaling. Gain-of-function SHP2 mutations are associated with Noonan syndrome, various kinds of leukemias, and solid tumors. Thus, there is considerable interest in SHP2 as a potential target for anticancer and antileukemia therapy. We report a salicylic acid based combinatorial library approach aimed at binding both active site and unique nearby subpockets for enhanced affinity and selectivity. Screening of the library led to the identification of a SHP2 inhibitor II-B08 (compound 9) with highly efficacious cellular activity. Compound 9 blocks growth factor stimulated ERK1/2 activation and hematopoietic progenitor proliferation, providing supporting evidence that chemical inhibition of SHP2 may be therapeutically useful for anticancer and antileukemia treatment. X-ray crystallographic analysis of the structure of SHP2 in complex with 9 reveals molecular determinants that can be exploited for the acquisition of more potent and selective SHP2 inhibitors.

Selective synthesis of isoquinolin-3-one derivatives combining Pd-catalysed aromatic alkylation/vinylation with addition reactions: The beneficial effect of water

The three-component, palladium/norbornene-catalysed reaction of 1, haloamides 2 and properly substituted olefins 3 performed in DMF/water at: 80 °C selectively gave 5 and 6 through three- and. four-bond-forming reactions, respec tively. The presence of water was crucial to obtain products in fair to good yields,