XRP44X - ≥98% , CAS No.729605-21-4

CAS: 729605-21-4 Cat. No.: X342763 Peso molecular: 380.88 Número EC: 684-708-0 PubChem CID: 10339779

GRADE & PURITY ≥98%

Synonyms

Inhibidor de la vía Ras-Net (Elk-3) | Inhibidor del ensamblaje de actina XVI | Inhibidor de la activación de Ras | Inhibidor de la polimerización de tubulina IX | 1-(3-clorofenil)-4-((3-metil-1-fenil-1H-pirazol-5-il)carbonil)piperazina

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

XRP44X es un inhibidor de la vía Ras-Net (Elk-3) (IC|50|= 10-20 nM). Inhibe indirectamente la fosforilación de Net antes de la activación de Erk1/2. Interviene en la detención del ciclo celular G2-M. Interviene en la detención del ciclo celular G2-M. Suprime el crecimiento de múltiples tipos celulares (IC|50|~ 2 nM). XRP44X inhibe la angiogénesis y actúa como agente despolimerizador de microtúbulos al unirse al sitio de unión a la colchicina de la tubulina in vitro. El XRP44X es un inhibidor de la tubulina.

Specifications

Sinónimos

Inhibidor de la vía Ras-Net (Elk-3) | Inhibidor del ensamblaje de actina XVI | Inhibidor de la activación de Ras | Inhibidor de la polimerización de tubulina IX | 1-(3-clorofenil)-4-((3-metil-1-fenil-1H-pirazol-5-il)carbonil)piperazina

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
• IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
• InChIKey: NPHPNBGYPKBDDB-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3
• Isómeros SMILES: CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
• WGK Alemania: 3
• PubChem CID: 10339779
• Peso molecular: 380.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyrazoles Pyrazole-5-carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Phenylpyrazole - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrazole - Azole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (100 mM), and ethanol (50 mM).
• Índice de refracción: n20D1.65 (Predicted)
• Punto de ebullición (°C): ~591.1° C at 760 mmHg (Predicted)
• Peso molecular: 380.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 380.14 Da
• Monoisotopic Mass: 380.14 Da
• Topological Polar Surface Area: 41.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 504.000
• 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