COX-1 Inhibitor II - ≥95% , CAS No.304913-22-2

CAS: 304913-22-2 Cat. No.: C336912 Peso molecular: 296.8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL16211204 | 4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonamide | BDBM50197708 | COX-1 Inhibitor II | DTXSID20583128 | J-017989 | Benzenesulfonamide, 4-amino-N-(4-chlorophenyl)-N-methyl- | 4-Amino-N-(4-chlorophenyl)-N-methylbenzene-1-sulfonamide |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

COX-1 Inhibitor II is a cell-permeable benzenesulfonamide compound that targets the catalytic site of Cox (cyclooxygenase). COX-1 Inhibitor II inhibits Cox-1 (IC|50|of 3.2 μM) more selectively than Cox-2 (IC|50|of > 100 μM). Much like Aspirin , COX-1 Inhibitor II has shown similar|in vivo|analgesic activity, yet unlike Aspirin and Indomethacin, COX-1 Inhibitor II does not induce gastric disturbance. The compound was revealed to inhibit PCA response in addition to Cox-2 expression and to exert anti-inflammatory effects by suppressing phosphorylation of ERK.

Specifications

Sinónimos

SCHEMBL16211204 | 4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonamide | BDBM50197708 | COX-1 Inhibitor II | DTXSID20583128 | J-017989 | Benzenesulfonamide, 4-amino-N-(4-chlorophenyl)-N-methyl- | 4-Amino-N-(4-chlorophenyl)-N-methylbenzene-1-sulfonamide |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: 4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
• InChIKey: AFQPTMJHMKDDIB-UHFFFAOYSA-N
• INCHI: 1S/C13H13ClN2O2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,15H2,1H3
• Isómeros SMILES: CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)N
• Peso molecular: 296.8
• Reaxy-Rn: 10670593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10670593&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Sulfanilides Benzenesulfonyl compounds Aniline and substituted anilines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO (10 mg/ml) or Ethanol (5 mg/ml)
• Peso molecular: 296.770 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.039 Da
• Monoisotopic Mass: 296.039 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1