MSC 2032964A - Moligand™, ≥98%(HPLC) , Inhibitor of mitogen-activated protein kinase kinase kinase 5, CAS No.1124381-43-6, Inhibitor of mitogen-activated protein kinase kinase kinase 5

CAS: 1124381-43-6 Cat. No.: M287311 Summenformel: C₁₆H₁₃F₃N₆O Molekulargewicht: 362.31

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

N-(5-(Cyclopropylamino)-7-(trifluormethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamid | AS-74425 | MRF-0000032 | N-[5-(Cyclopropylamino)-7-(trifluormethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridin-3-carboxamid | SCHEMBL2788575 | N-(5-(Cycloprop

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

N-(5-(Cyclopropylamino)-7-(trifluormethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamid | AS-74425 | MRF-0000032 | N-[5-(Cyclopropylamino)-7-(trifluormethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridin-3-carboxamid | SCHEMBL2788575 | N-(5-(Cycloprop

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Wirksamer und selektiver ASK1-Inhibitor (IC50= 93 nM). Selektiv für ASK1 gegenüber einer Gruppe von 210 Kinasen. Blockiert die LPS-induzierte ASK1- und p38-Phosphorylierung in kultivierten Astrozyten der Maus. Unterdrückt die Neuroinflammation in einem EA

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of mitogen-activated protein kinase kinase kinase 5

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
• IUPAC Name: N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
• InChIKey: XUKGFHHTSUKORV-UHFFFAOYSA-N
• INCHI: 1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)
• Isomere SMILES: C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
• Alternative CAS-Nummer: 1124381-43-6
• Molekulargewicht: 362.31
• Reaxy-Rn: 18991297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18991297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Nicotinamides Aminopyridines and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Triazolopyridine - Aminopyridine - Pyridine - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Zugehörige Ziele (menschlich)

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (2 Activities)

Discover Target: MAP3K5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 7.25, Max Conc. mM: 20; Solvent:ethanol, Max Conc. mg/mL: 3.62, Max Conc. mM: 10 with gentle warming
• Molekulargewicht: 362.310 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 362.11 Da
• Monoisotopic Mass: 362.11 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 529.000
• 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