(S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

Name: (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
Brand: Zemixal
SKU: ZX-044700

Reference StandardAvailable on request

Buy (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid (CAS 2322380-15-2) fro…

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(S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid chemical structure

CAS number2322380-15-2

FormulaC₂₉H₂₅ClN₂O₇S

Molar mass581 g/mol

Physical formSolid

HS code38229090

InChIKeyUTAKOILOLQKSMB-DEOSSOPVSA-N

IUPAC name(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

About (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

Zemixal lists (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid for laboratories that identify, quantify or control Lifitegrast and its related substances. Identity at a glance (Reference Standard): CAS 2322380-15-2, formula C29H25ClN2O7S and molar mass 581 g/mol. It is handled as a solid.

Common uses in the lab and plant

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

Handling and storage

Classified under GHS with signal word Warning and hazard statements H319. Read the SDS before first use.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Each lot travels with a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Lifitegrast

See every impurity, metabolite and related compound we list for this API.

Lifitegrast standards

Typical uses

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

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
Product name	(S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
Catalogue number	ZX-044700
CAS number	2322380-15-2
IUPAC name	(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
Molecular formula	C₂₉H₂₅ClN₂O₇S
Molar mass	581 g/mol
Exact mass	580.1071
Grade	Reference Standard
Physical form	Solid
XLogP3	4
H-bond donors / acceptors	2 / 7
Topological polar surface area	142 Å²
HS code	38229090
InChIKey	UTAKOILOLQKSMB-DEOSSOPVSA-N
SMILES	CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C3=C(CN(CC3)C(=O)C4=CC5=C(C=C4)C=CO5)C=C2)Cl
PubChem CID	142592005
Synonyms	5-Deschloro Lifitegrast, 5-Deschlorolifitegrast

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

Irritant or harmful

Signal word Warning

H319Causes serious eye irritation

Precautionary statements P264 + P265, P280, P305 + P351 + P338, P337 + P317

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

Which CAS number identifies (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid?

(S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid is registered under CAS 2322380-15-2. You may also see it listed as 5-Deschloro Lifitegrast, 5-Deschlorolifitegrast. Our catalogue number for this item is ZX-044700.

What are the formula and molar mass of (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid?

For (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid, its formula is C29H25ClN2O7S and its molar mass is 581 g/mol. The systematic (IUPAC) name is (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid. InChIKey UTAKOILOLQKSMB-DEOSSOPVSA-N lets you match it in any structure database.

How is (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid used in pharmaceutical QC?

(S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid is a characterised reference material linked to Lifitegrast. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available for (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come with (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid?

Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.

Can Zemixal ship (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid to my country?

Yes. Because (S)-2-(2-(Benzofuran-6-carbonyl)-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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