Lycobetaine - Moligand™, ≥98% , CAS No.72510-04-4

CAS: 72510-04-4 Cat. No.: L690785 Summenformel: C₁₆H₁₂NO₃ Molekulargewicht: 266.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

Ungeremine

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Übersicht

Lycobetaine (Ungeremine) is a potential biofungicide against Penicillium roqueforti and Aspergillus niger.2. Lycobetaine have strong antibacterial activity against Flavobacterium columnare . 3. Lycobetaine effectively targets mammalian as well as bacterial type I and type II topoisomerases.4. Lycobetaine shows strong acetylcholinesterase inhibitory activity(IC(50) value of 0.35 microM). 5. Lycobetaine has antiprotozoal activity, it shows good activity in in vitro assays against Trypanosoma brucei rhodesiense, T. cruzi.

Specifications

Synonyme

Ungeremine

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4
• IUPAC Name: 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol
• InChIKey: DFQOXFIPAAMFAU-UHFFFAOYSA-O
• INCHI: 1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1
• Isomere SMILES: C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4
• Alternative CAS-Nummer: 2121-12-2,61221-41-8 (acetate salt)
• MeSH-Eintrag: AT 1840;lycobetaine;lycobetaine acetate;ungeremine;ungeremine chloride;ungeremine, acetate salt
• Molekulargewicht: 266.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthridines and derivatives
• Alternative Parents: Hydroxyquinolines Isoquinolines and derivatives Indoles and derivatives Benzodioxoles 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthridine - Hydroxyquinoline - Isoquinoline - Benzodioxole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Acetal - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
• 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

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TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

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

TOP2B Tclin DNA topoisomerase II beta (959 Activities)

Discover Target: TOP2B

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 266.270 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 266.082 Da
• Monoisotopic Mass: 266.082 Da
• Topological Polar Surface Area: 42.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 1
• Complexity: 403.000
• 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