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

CAS: 575471-15-7 Cat. No.: W418090 Fórmula: C₁₇H₁₂FN₃O Peso molecular: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥96%

Propiedades del producto

ALogP

3.902

Recuento HBD

1

Enlace rotable

2

Nombres e identificadores

Pubchem Sid

528767941

Sonrisas canónicas

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)

Isómeros SMILES

CC1=C(C(=C(N=C1C2=CC=C(C=C2)F)N)C#N)C3=CC=CO3

PubChem CID

663019

Peso molecular

293.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: clpP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 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