C25-140 - ≥98% , CAS No.1358099-18-9

CAS: 1358099-18-9 Cat. No.: C413582 Summenformel: C₂₆H₃₁N₇O Molekulargewicht: 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

Übersicht

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

Synonyme

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]-

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528763656
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5
• Molekulargewicht: 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
    • Klasse Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 92 mg/mL (201.06 mM); Ethanol: 92 mg/mL (201.06 mM); Water: Insoluble
• Molekulargewicht: 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