AG 1406 - ≥98% , CAS No.71308-34-4

CAS: 71308-34-4 Cat. No.: A412268 Fórmula: C₁₆H₁₈N₂O Peso molecular: 254.33

GRADE & PURITY ≥98%

Synonyms

71308-34-4|Propanedinitrile, [[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-|AG 1406|AG1406|2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]propanedinitrile|2-(4-hydroxy-3,5-diisopropylbenzylidene)malononitrile|DTXSID00433157|BCP32621|WCA30834|AK

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

AG 1406 is a potent and selective receptor tyrosine kinase VEGF receptor 2 inhibitor.

Specifications

Sinónimos

71308-34-4 | Propanedinitrile, [[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- | AG 1406 | AG1406 | 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]propanedinitrile | 2-(4-hydroxy-3,5-diisopropylbenzylidene)malononitrile | DTXSID00433157 | BCP32621 | WCA30834 | AK

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

AG 1406 is a potent and selective receptor tyrosine kinase VEGF receptor 2 inhibitor.

Condições de armazenamento de armazenamento

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%

Nomes e identificadores

• Pubchem Sid: 528763041
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528763041
• Sorrisos canónicos: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C#N
• IUPAC Name: 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]propanedinitrile
• InChIKey: JSDJFOADLLJFQX-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O/c1-10(2)14-6-12(5-13(8-17)9-18)7-15(11(3)4)16(14)19/h5-7,10-11,19H,1-4H3
• SMILES isoméricas: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C#N
• Peso molecular: 254.33
• Reaxy-Rn: 2855431
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2855431&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Phenols Nitriles Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

Propriedades químicas e físicas

• Peso molecular: 254.330 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.142 Da
• Monoisotopic Mass: 254.142 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 396.000
• 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