402567-16-2

Basic information

• Product Name: Firategrast
• Synonyms: Firategrast;[1,1'-Biphenyl]-4-propanoic acid, α-[(2,6-difluorobenzoyl)aMino]-4'-(ethoxyMethyl)-2',6'-diMethoxy-, (αS)-;SB 683699;SB683699;SB-683699;Firategrast (SB 683699);(alphaS)-alpha-[(2,6-Difluorobenzoyl)amino]-4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-propanoic acid;(S)-2-(2,6-difluorobenzamido)-3-(4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
• CAS NO: 402567-16-2
• Molecular Formula: C27H27F2NO6
• Molecular Weight: 499.5031864
• Mol File: 402567-16-2.mol

Chemical Properties

• Melting Point: 154-155℃ (ethanol water )
• Boiling Point: 594.4±50.0 °C(Predicted)
• Appearance: /
• Density: 1.261±0.06 g/cm3(Predicted)
• Solubility: ≥50 mg/mL in DMSO; insoluble in H2O; ≥90.8 mg/mL in EtOH with gentle warming
• PKA: 3.51±0.10(Predicted)
• CAS DataBase Reference: Firategrast(CAS DataBase Reference)
• NIST Chemistry Reference: Firategrast(402567-16-2)
• EPA Substance Registry System: Firategrast(402567-16-2)

Safety Data

• Hazardous Substances Data: 402567-16-2(Hazardous Substances Data)

Usage

Uses

Treatment of multiple sclerosis and inflammatory bowel disease.

Upstream product

• 232276-00-5 (S)-ethyl 2-amino-3-(4-bromophenyl)propanoate hydrochloride 
• 18063-02-0 2,6-difluorobenzoylchloride 

Relevant articles and documents

PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE

A novel process for the preparation of a phenylalanine derivative of formula (I):

Inhibitors of alpha4mediated cell adhesion

The present invention relates to a phenylalanine derivative of Formula (I) wherein X1 is a halogen atom, X2 is a halogen atom, Q is a CH2R— is a carboxyl group which may be esterified; or a pharmaceutically acceptable salt thereof.

A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF

The present invention provides a process for preparing a novel phenylalanine derivative of the formula (I): wherein X1 is a halogen atom, X2 is a halogen atom, Q is a group of the formula -CH2- or -(CH2)2- and Y is a lower alkyl group, or a pharmaceutically acceptable salt thereof, which has excellent inhibitory effects on α4 integrin-mediated cell adhesion, and an intermediate useful in the process.