Cimicoxib (UR-8880) - Moligand™,≥97% , Cyclooxygenase-2 inhibitor, CAS No.265114-23-6, Cyclooxygenase-2 inhibitor

CAS: 265114-23-6 Cat. No.: C351790 Peso molecular: 381.81 Número EC: 642-922-1
Disponible para pedir
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. ≥97%
Synonyms
Cimicoxib [INN] | CHEBI:76127 | W7FHJ107MC | Q5120133 | Cimicoxib | 4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide | 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide | AKOS030586367 | DB05095 | BCP24933
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C351790-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
18,90US$
5mg
C351790-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
55,90US$
25mg
C351790-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
166,90US$
100mg
C351790-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
399,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥97% 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.

Specifications

Sinónimos
Cimicoxib [INN] | CHEBI:76127 | W7FHJ107MC | Q5120133 | Cimicoxib | 4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide | 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide | AKOS030586367 | DB05095 | BCP24933
Especificaciones y pureza
Moligand™, ≥97%
Mecanismos bioquímicos y fisiológicos
Cimicoxib (CX) is a active potent and selective COX-2 (cyclo-oxygenase-2) inhibitor. Cimicoxib exhibits promising anti-inflammatory and analgesic activity. The PK parameters of Cimicoxib in dogs given precise (2 mg/kg) and approximate doses (1.95-2.5 mg/k
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Cyclooxygenase-2 inhibitor
Pureza
≥97%
Propiedades del producto
ALogP2.9
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F
IUPAC Name4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
InChIKeyKYXDNECMRLFQMZ-UHFFFAOYSA-N
INCHI1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
Isómeros SMILES COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F
Peso molecular 381.81
Reaxy-Rn 9505967
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9505967&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
ClaseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Phenoxy compounds  Anisoles  Methoxybenzenes  Alkyl aryl ethers  Fluorobenzenes  Organosulfonamides  Aryl chlorides  Aryl fluorides  N-substituted imidazoles  Aminosulfonyl compounds  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 5-phenylimidazole - 1-phenylimidazole - 4-phenylimidazole - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - N-substituted imidazole - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Ether - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors organofluorine compound - aromatic ether - sulfonamide - imidazoles - organochlorine compound
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PTGS2 Tclin Prostaglandin G/H synthase 2 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SensibilidadMoisture sensitive
Peso molecular381.800 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass381.035 Da
Monoisotopic Mass381.035 Da
Topological Polar Surface Area95.600 Ų
Heavy Atom Count25
Formal Charge0
Complexity553.000
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
Calculadoras de soluciones
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