Verlukast - Moligand™, ≥98% , Antagonist of CysLT 1 receptor;Inhibitor of OATP2B1, CAS No.120443-16-5, Antagonist of CysLT 1 receptor;Inhibitor of OATP2B1

CAS: 120443-16-5 Cat. No.: V127296 Molecular Weight: 515.09
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
3-(((.ALPHA.R)-M-((E)-2-(7-CHLORO-2-QUINOLYL)VINYL)-.ALPHA.-((2-(DIMETHYLCARBAMOYL)ETHYL)THIO)BENZYL)THIO)PROPIONIC ACID | R-(-)-MK 571 | 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
V127296-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$95.90
5mg
V127296-5mg
2
$339.90
25mg
V127296-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,066.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Application:

A receptor antagonist for the treatment of respiratory diseases.

Specifications

Synonyms
3-(((.ALPHA.R)-M-((E)-2-(7-CHLORO-2-QUINOLYL)VINYL)-.ALPHA.-((2-(DIMETHYLCARBAMOYL)ETHYL)THIO)BENZYL)THIO)PROPIONIC ACID | R-(-)-MK 571 | 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid |
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms

Verlukast(MK-679; L 668019) is a receptor antagonist for the treatment of respiratory diseases.

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST, INHIBITOR
Mechanism of action
Antagonist of CysLT 1 receptor;Inhibitor of OATP2B1
Purity
≥98%
Names and Identifiers
Pubchem Sid504764271
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504764271
Canonical SmilesCN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O
IUPAC Name3-[(R)-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
InChIKeyAXUZQJFHDNNPFG-LHAVAQOQSA-N
INCHI1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1
Isomeric SMILES CN(C)C(=O)CCS[C@@H](C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O
Molecular Weight 515.09
Reaxy-Rn 24674053
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24674053&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassHaloquinolines
Intermediate Tree Nodes Not available
Direct ParentChloroquinolines
Alternative Parents Styrenes  Aryl chlorides  Pyridines and derivatives  Tertiary carboxylic acid amides  Dithioacetals  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Carboxylic acids  Dialkylthioethers  Monocarboxylic acids and derivatives  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chloroquinoline - Styrene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thioacetal - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Abcc1 Multidrug resistance-associated protein 1 (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
C2313305Certificate of AnalysisDec 11, 2024 V127296
C2313309Certificate of AnalysisDec 11, 2024 V127296
Chemical and Physical Properties
SolubilityDMSO (Slightly), Methanol (Slightly, Heated, Sonicated), THF (Slightly, Sonicate)
Melt Point(°C)57-62°C
Molecular Weight515.100 g/mol
XLogP35.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass514.115 Da
Monoisotopic Mass514.115 Da
Topological Polar Surface Area121.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity693.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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