GRI 977143 - Moligand™, ≥98%(HPLC) , Agonist of LPA 2 receptor, CAS No.325850-81-5, Agonist of LPA 2 receptor

CAS: 325850-81-5 Cat. No.: G288503 Summenformel: C22H17NO4S Molekulargewicht: 391.44 EG-Nummer: 803-533-4
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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%(HPLC)
Synonyms
2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoicacid | 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid | SCHEMBL15490694 | 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid | M3L07
Storage
Lagerung bei 2-8°C
Shipped In
Nasses Eis
Size
Deutschland (EU)
USA*
Price
Qty
1mg
G288503-1mg
Auf Bestellung · 8–12 Wochen
50,24€
5mg
G288503-5mg
3 Auf Lager
178,67€
10mg
G288503-10mg
3 Auf Lager
321,84€
25mg
G288503-25mg
3 Auf Lager
714,93€
50mg
G288503-50mg
2 Auf Lager
1.287,64€
100mg
G288503-100mg
2 Auf Lager
2.316,78€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Lagerung bei 2-8°C Ships Nasses Eis Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyme
2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoicacid | 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid | SCHEMBL15490694 | 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid | M3L07
Spezifikationen & Reinheit
Moligand™, ≥98%(HPLC)
Biochemische und physiologische Mechanismen
Selektiver Lysophosphatidsäure-2 (LPA2)-Rezeptor-Agonist ohne Lipidwirkung (EC50= 3,3μM). Aktiviert andere LPA-GPCRs bei Konzentrationen von bis zu 10μM nicht. Antiapoptotisch; hemmt die Aktivierung der Caspasen 3, 7, 8 und 9, die Translokation von Bax un
Storage
Lagerung bei 2-8°C
Verschickt in
Nasses Eis
Note
Moligand™
Aktionsart
AGONIST
Mechanismus der Wirkung
Agonist of LPA 2 receptor
Reinheit
≥98%(HPLC)
Namen und Kennungen
Pubchem Sid504762465
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504762465
Kanonisches LächelnC1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
IUPAC Name2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
InChIKeyGMVZUCHUOYUMLL-UHFFFAOYSA-N
INCHI1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
Isomere SMILES C1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Molekulargewicht 391.44
Reaxy-Rn 26636248
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26636248&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
KlasseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Naphthalenes  O-sulfanylbenzoic acids  Benzoic acids  Thiophenol ethers  Benzoyl derivatives  Alkylarylthioethers  Vinylogous thioesters  N-substituted carboxylic acid imides  Sulfenyl compounds  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organopnictogen compounds  Hydrocarbon derivatives  Organooxygen compounds  Organonitrogen compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
LPAR2 Tchem Lysophosphatidic acid receptor 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LPAR4 Tchem Lysophosphatidic acid receptor 4 (71 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
CHO (4503 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEF (1005 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B103 cell line (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

11 results found

Lot NumberCertificate TypeDatumArtikel
H2301181Certificate of AnalysisJul 01, 2023 G288503
H2301185Certificate of AnalysisJul 01, 2023 G288503
H2301188Certificate of AnalysisJul 01, 2023 G288503
H2301191Certificate of AnalysisJul 01, 2023 G288503
H2301193Certificate of AnalysisJul 01, 2023 G288503
H2301626Certificate of AnalysisJul 01, 2023 G288503
H2301628Certificate of AnalysisJul 01, 2023 G288503
H2301647Certificate of AnalysisJul 01, 2023 G288503
H2301651Certificate of AnalysisJul 01, 2023 G288503
H2301656Certificate of AnalysisJul 01, 2023 G288503
K2519127Certificate of AnalysisJul 01, 2023 G288503

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Chemische und physikalische Eigenschaften
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 39.14, Max Conc. mM: 100
Molekulargewicht391.400 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass391.088 Da
Monoisotopic Mass391.088 Da
Topological Polar Surface Area100.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity594.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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