Imrecoxib - Moligand™, ≥98% , CAS No.395683-14-4

CAS: 395683-14-4 Cat. No.: I646172 Summenformel: C21H23NO3S Molekulargewicht: 369.48 PubChem CID: 11682175
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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%
Synonyms
IMRECOXIB [WHO-DD] | F82319 | HY-114200 | AKOS032954049 | MS-25939 | 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one | SGW6W5758V | 4-(4-(Methylsulfonyl)phenyl)-1-propyl-3-(p-tolyl)-1H-pyrrol-2(5H)-one | BDBM50293282 | DB12354 | UNI
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
Size
Deutschland (EU)
USA*
Price
Qty
50mg
I646172-50mg
2 Auf Lager
69,33€
100mg
I646172-100mg
1 Auf Lager
112,72€
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

Protected from light,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.

Übersicht

Imrecoxib (BAP-909) is a novel and selective cyclooxygenase 2 ( COX-2 ) inhibitor with an IC 50 value of 18 nM, it also inhibits COX1- activity with an IC 50 value of 115 nM. Imrecoxib (BAP-909) has anti-inflammatory effect

In Vitro

Imrecoxib (BAP-909) (0.1-10 µM; 24 hours) decreases COX-2 mRNA level induced by PMA+LPS at a dose dependent manner in U937 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. RT-PCRCell Line: U937 cells Concentration: 0.1 µM; 1 µM; 10 µM Incubation Time: 24 hours Result: Decreased COX-2 mRNA level.

In Vivo

Imrecoxib (BAP-909) (gastrointestinal administration; 5-20 mg/kg; 1 hour before carrageenan injection) inhibits carrageenan-induced acute inflammation, and the inhibitory effect is maximal at 4 hours . Imrecoxib (BAP-909) (gastrointestinal administration; 5-20 mg/kg; started on day 7; 26 days) diminishes the secondary paw swelling and inhibits heat-inactivated BCG induced-inflammtory polyarthritis . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rat carrageenan-induced edema model Dosage: 5 mg/kg, 10 mg/kg, 20 mg/kg Administration: Gastrointestinal administration; 5-20 mg/kg; 1 hour before carrageenan injection Result: Inhibited the edema response with different doses. Animal Model: Rat adjuvant-induced arthritis (AIA) model Dosage: 5 mg/kg, 10 mg/kg, 20 mg/kg Administration: Gastrointestinal administration; 5-20 mg/kg; started on day 7; 26 days Result: Inhibited adjuvant-induced chronic inflammation at the doses of 10 and 20 mg/kg.

Form:Solid

IC50& Target:Human COX-1 115 nM (IC 50 ) Human COX-2 18 nM (IC 50 )

Specifications

Synonyme
IMRECOXIB [WHO-DD] | F82319 | HY-114200 | AKOS032954049 | MS-25939 | 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one | SGW6W5758V | 4-(4-(Methylsulfonyl)phenyl)-1-propyl-3-(p-tolyl)-1H-pyrrol-2(5H)-one | BDBM50293282 | DB12354 | UNI
Spezifikationen & Reinheit
Moligand™, ≥98%
Biochemische und physiologische Mechanismen
Imrecoxib (BAP-909) is a novel and selective cyclooxygenase 2 ( COX-2 ) inhibitor with an IC 50 value of 18 nM, it also inhibits COX1- activity with an IC 50 value of 115 nM. Imrecoxib (BAP-909) has anti-inflammatory effect.
Storage
Protected from light,Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
INHIBITOR
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid528764943
Kanonisches LächelnCCCN1CC(=C(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)C
IUPAC Name4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
InChIKeyAXMZZGKKZDJGAZ-UHFFFAOYSA-N
INCHI1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
Isomere SMILES CCCN1CC(=C(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)C
Alternative CAS-Nummer 395683-14-4
PubChem CID 11682175
MeSH-Eintrag Imrecoxib
Molekulargewicht 369.48

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
KlasseStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Benzenesulfonyl compounds  Toluenes  Tertiary carboxylic acid amides  Sulfones  Pyrrolines  Lactams  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Stilbene - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrroline - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 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.

2 results found

Lot NumberCertificate TypeDatumArtikel
G2524596Certificate of AnalysisFeb 20, 2025 I646172
G2524597Certificate of AnalysisFeb 20, 2025 I646172
Chemische und physikalische Eigenschaften
LöslichkeitDMSO : 100 mg/mL (270.65 mM; Need ultrasonic)
Empfindlichkeitlight sensitive
Molekulargewicht369.500 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass369.14 Da
Monoisotopic Mass369.14 Da
Topological Polar Surface Area62.800 Ų
Heavy Atom Count26
Formal Charge0
Complexity645.000
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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