1194550-67-8

Basic information

• Product Name: ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate
• Synonyms: ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate
• CAS NO: 1194550-67-8
• Molecular Weight: 705.615
• Mol File: 1194550-67-8.mol

Chemical Properties

• Boiling Point: 851.6±65.0 °C(Predicted)
• Density: 1.405±0.06 g/cm3(Predicted)
• CAS DataBase Reference: ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate(1194550-67-8)
• EPA Substance Registry System: ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate(1194550-67-8)

Safety Data

• Hazardous Substances Data: 1194550-67-8(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate is used as a compound in medicinal chemistry for its potential to interact with biological molecules. The presence of various functional groups allows it to be a candidate for the development of new drugs or drug-like molecules.
Used in Drug Design:
In the field of drug design, ((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate is used as a structural template to create new pharmaceutical agents. Its complex structure and functional groups can be optimized to target specific biological pathways or receptors, potentially leading to the discovery of novel therapeutics.
Used in Pharmaceutical Industry:
((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate is used in the pharmaceutical industry as a starting material or intermediate in the synthesis of various drugs. Its unique structure and functional groups can be leveraged to create innovative medications with improved efficacy and safety profiles.

Upstream product

• 77095-51-3 benzofuran-6-carboxylic acid 
• 1194550-65-6 benzyl (S)-2-(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-[3-(methylsulfonyl)phenyl]propanoate hydrochloride 
• 1194550-61-2 benzyl (S)-2-[2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido]-3-[3-(methylsulfonyl)phenyl]propanoate 
• 1289646-93-0 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride 
• 1289646-90-7 ethyl benzofuran-6-carboxylate 
• 588703-29-1 methyl benzofuran-6-carboxylate 
• 227752-25-2 trifluoromethanesulfonic acid benzofuran-6-yl ester 
• 13196-11-7 6-hydroxybenzofuran 
• 299912-77-9 6-(tert-butyl-dimethylsilanyloxy)-[2H]-benzofuran-3-one 
• 6272-26-0 6-hydroxybenzofuran-3-one 
• 851784-76-4 tert-butyl 5,7-dichloro-6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate 
• 1609545-55-2 C₉H₉Cl₂NO*C₇H₈O₃S 
• 851784-82-2 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 
• 851784-80-0 2-(tert-butyl) 6-methyl 5,7-dichloro-3,4-dihydroisoquinoline-2,6(1Η)-dicarboxylate 

Downstream Products

• 1025967-78-5 (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid 

Relevant articles and documents

PROCESS FOR PREPARATION OF LIFITEGRAST

The present invention relates to a process for the preparation of lifitegrast, a compound of formula I, the process comprising deprotecting a compound of formula III using a Lewis acid. The present invention also relates to lifitegrast organic amine salt, a compound of formula II, process for its preparation and conversion thereof to lifitegrast.

A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE

The present invention relates to a process for preparing lifitegrast or a salt thereof, wherein the process comprises hydrogenation of compound II in a mixture comprising at least one solvent selected from the group consisting of acetonitrile, a ketone solvent, an ester solvent and a mixture thereof, preferably acetonitrile.

LFA-1 INHIBITOR AND POLYMORPH THEREOF

Methods of preparation and purification of a compound, intermediates thereof, a polymorph thereof, and related compounds are disclosed. Formulations and uses thereof in the treatment of LFA -1 mediated diseases are also disclosed.

Discovery and development of potent LFA-1/ICAM-1 antagonist SAR 1118 as an ophthalmic solution for treating dry eye

LFA-1/ICAM-1 interaction is essential in support of inflammatory and specific T-cell regulated immune responses by mediating cell adhesion, leukocyte extravasation, migration, antigen presentation, formation of immunological synapse, and augmentation of T-cell receptor signaling. The increase of ICAM-1 expression levels in conjunctival epithelial cells and acinar cells was observed in animal models and patients diagnosed with dry eye. Therefore, it has been hypothesized that small molecule LFA-1/ICAM-1 antagonists could be an effective topical treatment for dry eye. In this letter, we describe the discovery of a potent tetrahydroisoquinoline (THIQ)-derived LFA-1/ICAM-1 antagonist (SAR 1118) and its development as an ophthalmic solution for treating dry eye.