NK 252 - ≥98%(HPLC) , CAS No.1414963-82-8

CAS: 1414963-82-8 Cat. No.: N287824 Summenformel: C₁₃H₁₁N₅O₃ Molekulargewicht: 285.26 EG-Nummer: 806-128-0

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

DTXSID301020703 | NCGC00387474-01 | 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea | N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N inverted exclamation marka-(2-pyridinylmethyl)-urea | 1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(pyridin-2-yl

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Spezifikationen

Synonyme

DTXSID301020703 | NCGC00387474-01 | 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea | N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N inverted exclamation marka-(2-pyridinylmethyl)-urea | 1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(pyridin-2-yl

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Nrf2-Aktivator; interagiert mit der Nrf2-Bindungsstelle von Keap1. Verringert die Expression fibrogener Gene und erhöht die antioxidative Wirkung in NASH-Rattenmodellen für Lebererkrankungen.

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Aktionsart

ACTIVATOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

C1=CC=NC(=C1)CNC(=O)NC2=NN=C(O2)C3=CC=CO3

IUPAC Name

1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea

InChIKey

FNSCFQXZZNCDAI-UHFFFAOYSA-N

INCHI

1S/C13H11N5O3/c19-12(15-8-9-4-1-2-6-14-9)16-13-18-17-11(21-13)10-5-3-7-20-10/h1-7H,8H2,(H2,15,16,18,19)

Isomere SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NN=C(O2)C3=CC=CO3

Molekulargewicht

285.26

Reaxy-Rn

23988266

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23988266&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Furans 1,3,4-oxadiazoles Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 1,3,4-oxadiazole - Azole - Furan - Oxadiazole - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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)

KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)

Discover Target: KEAP1

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:1eq. HCl, Max Conc. mg/mL: 28.53, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 28.53, Max Conc. mM: 100
• Molekulargewicht: 285.260 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 285.086 Da
• Monoisotopic Mass: 285.086 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 357.000
• 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