WAY-325487 - ≥96% , CAS No.575471-15-7

CAS: 575471-15-7 Cat. No.: W418090 Summenformel: C₁₇H₁₂FN₃O Molekulargewicht: 293.3 PubChem CID: 663019

GRADE & PURITY ≥96%

Synonyms

2-amino-6-(4-fluorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

altering the lifespan of a eukaryotic organism; mitogen activated protein kinase-activated protein kinase-2 inhibitor;

Specifications

Synonyme

2-amino-6-(4-fluorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Produkteigenschaften

• ALogP: 3.902
• HBD-Zahl: 1
• Rotationsfähige Bindung: 2

Namen und Kennungen

• Pubchem Sid: 528767941
• Kanonisches Lächeln: CC1=C(C(=C(N=C1C2=CC=C(C=C2)F)N)C#N)C3=CC=CO3
• IUPAC Name: 2-amino-6-(4-fluorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
• InChIKey: FREFVUBIPNVQHE-UHFFFAOYSA-N
• INCHI: 1S/C17H12FN3O/c1-10-15(14-3-2-8-22-14)13(9-19)17(20)21-16(10)11-4-6-12(18)7-5-11/h2-8H,1H3,(H2,20,21)
• Isomere SMILES: CC1=C(C(=C(N=C1C2=CC=C(C=C2)F)N)C#N)C3=CC=CO3
• PubChem CID: 663019
• Molekulargewicht: 293.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: 3-pyridinecarbonitriles Aminopyridines and derivatives Fluorobenzenes Methylpyridines Aryl fluorides Imidolactams Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Nitriles Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Primary amines Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - 3-pyridinecarbonitrile - Aminopyridine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 293.290 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 293.096 Da
• Monoisotopic Mass: 293.096 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 429.000
• 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