81568-83-4

Basic information

• Product Name: Glycine,N-(2-bromobenzoyl)-
• Synonyms: Glycine,N-(2-bromobenzoyl)-;2-bromohippuric acid
• CAS NO: 81568-83-4
• Molecular Formula: C₉H₈BrNO₃
• Molecular Weight: 258.06872
• Mol File: 81568-83-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 192-193 °C
• Boiling Point: 461.5°C at 760 mmHg
• Flash Point: 232.9°C
• Appearance: /
• Density: 1.642±0.06 g/cm3(Predicted)
• Vapor Pressure: 2.59E-09mmHg at 25°C
• PKA: 3.65±0.10(Predicted)
• CAS DataBase Reference: Glycine,N-(2-bromobenzoyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Glycine,N-(2-bromobenzoyl)-(81568-83-4)
• EPA Substance Registry System: Glycine,N-(2-bromobenzoyl)-(81568-83-4)

Safety Data

• Hazardous Substances Data: 81568-83-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1

Upstream product

• 7154-66-7 2-bromobenzoic acid chloride 
• 56-40-6 glycine 
• 88-65-3 2-bromobenzoic-acid 
• 207864-20-8 ethyl N-(o-bromobenzoyl)aminoacetate 

Downstream Products

• 56-40-6 glycine 
• 88-65-3 2-bromobenzoic-acid 
• 1224962-89-3 C₁₁H₁₀BrNO₄ 
• 313645-84-0 4-(4-nitrobenzylidene)-2-(2-bromophenyl)-5(4H)-oxazolone 
• 84156-18-3 4-(4-methoxybenzylidene)-2-(2-bromophenyl)-5(4H)-oxazolone 
• 1610802-31-7 C₂₀H₂₆BrN₃O₇S 
• 57515-98-7 2-(2-bromophenyl)-4-phenylmethylene-Δ²-oxazoline-5-one 

Relevant articles and documents

Synthesis and evaluation of new phenyl acrylamide derivatives as potent non-nucleoside anti-HBV agents

As a continuation of our previous work, a series of new phenyl acrylamide derivatives (4Aa-g, 4Ba-t, 5 and 6a-c) were designed and synthesized as non-nucleoside anti-HBV agents. Among them, compound 4Bs could potently inhibit HBV DNA replication in wild-type and lamivudine (3TC)/entecavir resistant HBV mutant strains with IC50 values of 0.19 and 0.18 μM, respectively. Notably, the selective index value of 4Bs was above 526, indicating the favorable safety profile. Interestingly, unlike nucleoside analogue 3TC, 4Bs could significantly inhibit 3.5 kb pgRNA expression. Molecular docking study revealed that 4Bs could fit well into the dimer-dimer interface of HBV core protein by hydrophobic, π–π and H-bond interactions. Considering the potent anti-HBV activity, low toxicity and diverse anti-HBV mechanism from that of nucleoside anti-HBV agent 3TC, compound 4Bs might be a promising lead to develop novel non-nucleoside anti-HBV therapeutic agents, and warranted further investigation.

N-benzoyl amino acids as LFA-1/ICAM inhibitors 1: Amino acid structure-activity relationship

The association of ICAM-1 with LFA-1 plays a critical role in several autoimmune diseases. N-2-Bromobenzoyl L-tryptophan, compound 1, was identified as an inhibitor to the formation of the LFA-1/ICAM complex. The SAR of the amino acid indicates that the carboxylic acid is required for inhibition and that L-histidine is the most favored amino acid.