AG 1406 - ≥98% , CAS No.71308-34-4

CAS: 71308-34-4 Cat. No.: A412268 Formula: C₁₆H₁₈N₂O Peso molecolare: 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

Panoramica

Information

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528763041
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C#N
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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