C25-140 - ≥98% , CAS No.1358099-18-9

CAS: 1358099-18-9 Cat. No.: C413582 Peso molecular: 457.57

GRADE & PURITY ≥98%

Synonyms

1-Propanone,3-[3,5-dimethyl-1-(3-methyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-1-[4-(phenylmethyl)-1-piperidinyl]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

C25-140 C25-140 is a small-molecule inhibitor of TRAF6-Ubc13 interaction . C25-140 directly binds to TRAF6, thereby blocking the interaction of TRAF6 with Ubc13, and as a consequence lowers TRAF6 activity. C25-140 impedes NF-κB activation in various immune and inflammatory signaling pathways also in primary human and murine cells.

Targets

TRAF6-Ubc13 ; NF-κB

Specifications

Sinónimos

1-Propanone, 3-[3, 5-dimethyl-1-(3-methyl-1, 2, 4-triazolo[4, 3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-1-[4-(phenylmethyl)-1-piperidinyl]-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

C25-140 is a small-molecule inhibitor of TRAF6-Ubc13 interaction. C25-140 directly binds to TRAF6, thereby blocking the interaction of TRAF6 with Ubc13, and as a consequence lowers TRAF6 activity. C25-140 impedes NF-κB activation in various immune and inf

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.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5
• IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
• InChIKey: HFKVRXVHZGBRKF-UHFFFAOYSA-N
• INCHI: 1S/C26H31N7O/c1-18-23(19(2)32(29-18)25-11-10-24-28-27-20(3)33(24)30-25)9-12-26(34)31-15-13-22(14-16-31)17-21-7-5-4-6-8-21/h4-8,10-11,22H,9,12-17H2,1-3H3
• Isómeros SMILES: CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5
• Peso molecular: 457.57
• Reaxy-Rn: 32604548
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32604548&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Triazolopyridazines N-acylpiperidines Pyridazines and derivatives Benzene and substituted derivatives Triazoles Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-benzylpiperidine - N-acyl-piperidine - Triazolopyridazine - Monocyclic benzene moiety - Pyridazine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 92 mg/mL (201.06 mM); Ethanol: 92 mg/mL (201.06 mM); Water: Insoluble
• Peso molecular: 457.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 457.259 Da
• Monoisotopic Mass: 457.259 Da
• Topological Polar Surface Area: 81.200 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 678.000
• 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