tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methyl… 1194550-61-2

About tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate is an impurity of Lifitegrast carrying the CAS registry number 1194550-61-2. Formula C32H34Cl2N2O7S, molecular weight 661.6 g/mol.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Handle it with standard laboratory precautions and appropriate personal protective equipment.

As a characterised impurity of Lifitegrast, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate is dispatched with a Certificate of Analysis (COA) to destinations worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Lifitegrast

View every impurity, metabolite and intermediate we list for Lifitegrast.

Lifitegrast impurities

Specifications & identifiers

Chemical identifiers
Product name	tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalogue No.	VQ-038035
CAS Number	1194550-61-2
IUPAC name	tert-butyl 5,7-dichloro-6-[[(2S)-3-(3-methylsulfonylphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular formula	C₃₂H₃₄Cl₂N₂O₇S
Molecular weight	661.6 g/mol
Exact mass	660.1464
Grade	Reference Standard
HSN code	38229090
InChIKey	ZTYYSZJSTXFVKI-SANMLTNESA-N
SMILES	CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)N[C@@H](CC3=CC(=CC=C3)S(=O)(=O)C)C(=O)OCC4=CC=CC=C4)Cl
PubChem CID	44514644

Physical properties
Physical form	Solid
LogP (XLogP3)	5.8
H-bond donors / acceptors	1 / 7
TPSA	127 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The CAS Registry Number of tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1194550-61-2.

What is the molecular formula and molecular weight of tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate?

tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate has the molecular formula C32H34Cl2N2O7S and a molecular weight of 661.6 g/mol. Its IUPAC name is tert-butyl 5,7-dichloro-6-[[(2S)-3-(3-methylsulfonylphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate used for?

tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate is supplied as a characterised reference material related to Lifitegrast. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate can I order?

We supply tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate?

Yes. Every lot of tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate be shipped internationally?

Yes. We export tert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.