INH154 - ≥98% , CAS No.1587705-63-2

CAS: 1587705-63-2 Cat. No.: I419973 Fórmula: C₂₂H₂₄N₄OS Peso molecular: 392.52

CALIDAD & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

Pubchem Sid

528764896

Sonrisas canónicas

CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)N4CCCCC4

IUPAC Name

N-[4-(2,6-dimethyl-4-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

InChIKey

BBVORAZSFSZSKG-UHFFFAOYSA-N

INCHI

1S/C22H24N4OS/c1-15-12-18(26-10-4-3-5-11-26)13-16(2)20(15)19-14-28-22(24-19)25-21(27)17-6-8-23-9-7-17/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,25,27)

Isómeros SMILES

CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)N4CCCCC4

Peso molecular

392.52

Reaxy-Rn

27983251

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27983251&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Pyridinecarboxamides m-Xylenes Dialkylarylamines Aniline and substituted anilines 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - M-xylene - Xylene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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)

MDA-MB-468 (9477 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 392.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 392.167 Da
• Monoisotopic Mass: 392.167 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 509.000
• 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