PD 334581 - ≥98%(HPLC) , CAS No.548756-68-9

CAS: 548756-68-9 Cat. No.: P288537 Fórmula: C₂₀H₁₉F₃IN₅O₂ Peso molecular: 545.3 PubChem CID: 5287529

GRAU & PUREZA ≥98%(HPLC)

Synonyms

N-[5-[3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-4-morpholineethanamine

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

N-[5-[3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-4-morpholineethanamine

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Inhibitor of MEK1. Analog ofPD 184352.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

528766545

Sorrisos canónicos

C1COCCN1CCNC2=NN=C(O2)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F

IUPAC Name

5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

InChIKey

LZZYEMSEMRUPIM-UHFFFAOYSA-N

INCHI

1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28)

SMILES isoméricas

C1COCCN1CCNC2=NN=C(O2)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F

PubChem CID

5287529

Peso molecular

545.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary alkylarylamines Fluorobenzenes Iodobenzenes Aryl fluorides Aryl iodides Morpholines 1,3,4-oxadiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organoiodides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Aryl iodide - Oxazinane - Morpholine - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organoiodide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: organofluorine compound - organoiodine compound - morpholines - 1,3,4-oxadiazole

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 54.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.45, Max Conc. mM: 10
• Sensibilidade: Light sensitive
• Peso molecular: 545.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 545.054 Da
• Monoisotopic Mass: 545.054 Da
• Topological Polar Surface Area: 75.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 565.000
• 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