PFK15 - Moligand™ , Inhibitor of 6-phosphofructo-2-kinase/fructose-2;6-biphosphatase 3, CAS No.P612764, Inhibitor of 6-phosphofructo-2-kinase/fructose-2;6-biphosphatase 3

CAS: P612764 Cat. No.: P612764 PubChem CID: 25142799

GRADE & PURITY Moligand™

Synonyms

PFK015 | PFK-015 | 1-(4-Pyridinyl)-3-(2-quinolinyl)-2-propen-1-one | PFK 015 | SCHEMBL2702934 | HY-12204 | EN300-22345725 | PFK 15 | HSDB 3055 | AKOS025287166 | NCGC00386328-09 | C75180 | EX-A4218 | 1-(Pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one | SW21

Storage

Room temperature

Specifications

Synonyme

PFK015 | PFK-015 | 1-(4-Pyridinyl)-3-(2-quinolinyl)-2-propen-1-one | PFK 015 | SCHEMBL2702934 | HY-12204 | EN300-22345725 | PFK 15 | HSDB 3055 | AKOS025287166 | NCGC00386328-09 | C75180 | EX-A4218 | 1-(Pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one | SW21

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of 6-phosphofructo-2-kinase/fructose-2;6-biphosphatase 3

Namen und Kennungen

• Kanonisches Lächeln: O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2
• IUPAC Name: 1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one
• InChIKey: UJJUKZPBUMCSJZ-UHFFFAOYSA-N
• INCHI: 1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H
• Isomere SMILES: C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)C3=CC=NC=C3
• PubChem CID: 25142799

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Aryl ketones Pyridines and derivatives Benzenoids Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl ketone - Pyridine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Ketone - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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)

PFKFB3 Tchem 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (1 Activities)

Discover Target: PFKFB3

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

HepG2 (196354 Activities)

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PFKFB3 Tchem 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (1469 Activities)

Discover Target: PFKFB3

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Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecalis (29875 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 260.290 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 260.095 Da
• Monoisotopic Mass: 260.095 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1