PF-05089771 (tosylate) - ≥98%(HPLC) , CAS No.1430806-04-4

CAS: 1430806-04-4 Cat. No.: P287496 Peso molecular: 672.56 PubChem CID: 71554187

GRADE & PURITY ≥98%(HPLC)

Synonyms

1430806-04-4 | SCHEMBL14880153 | AKOS027470316 | NVKBPDYKPNYMDR-UHFFFAOYSA-N | UNII-NG8E748OWS | 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide tosylate | 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophe

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1430806-04-4 | SCHEMBL14880153 | AKOS027470316 | NVKBPDYKPNYMDR-UHFFFAOYSA-N | UNII-NG8E748OWS | 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1, 3-thiazol-4-yl)benzenesulfonamide tosylate | 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophe

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent and selective Nav1.7 channel blocker (IC50= 8, 11 and 171 nM for mouse, human and rat Nav1.7, respectively). Exhibits selectivity for Nav1.7 over other Nav1 channels (IC50values are 0.11, 0.16, 0.85, 10, 11 and 25μM for Nav1.2, Nav1.6, Nav1.1, Nav1

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504772156
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772156
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F
• IUPAC Name: 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;4-methylbenzenesulfonic acid
• InChIKey: NVKBPDYKPNYMDR-UHFFFAOYSA-N
• INCHI: 1S/C18H12Cl2FN5O3S2.C7H8O3S/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,26H,(H3,22,24,25);2-5H,1H3,(H,8,9,10)
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F
• PubChem CID: 71554187
• Peso molecular: 672.56

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: p-Methylbenzenesulfonates Phenylpyrazoles Diarylethers Tosyl compounds Benzenesulfonamides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Fluorobenzenes Chlorobenzenes Imidolactams Aryl fluorides Aryl chlorides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Thiazoles Organosulfonic acids Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Primary amines
• Molecular Framework: Not available
• Substituents: Diphenylether - Diaryl ether - Phenylpyrazole - P-methylbenzenesulfonate - Benzenesulfonamide - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Imidolactam - Organosulfonic acid amide - Aryl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organosulfonic acid - Sulfonyl - Thiazole - Organoheterocyclic compound - Ether - Azacycle - Primary amine - Organohalogen compound - Organochloride - Organic oxide - Amine - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 67.26, Max Conc. mM: 100
• Peso molecular: 672.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 670.994 Da
• Monoisotopic Mass: 670.994 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 927.000
• 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: 2

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