PFK158 - 10mM in DMSO , CAS No.1462249-75-7

CAS: 1462249-75-7 Cat. No.: P421690 Formule: C₁₈H₁₁F₃N₂O Poids moléculaire: 328.29 PubChem CID: 71730058

GRADE & PURITY 10mM in DMSO

Synonyms

2HOK1JQ203 | HY-12203 | N17011 | (E)-1-(pyridin-4-yl)-3-(7-(trifluoromethyl)quinolin-2-yl)prop-2-en-1-one | AC-35725 | s8807 | 2-Propen-1-one, 1-(4-pyridinyl)-3-(7-(trifluoromethyl)-2-quinolinyl)-, (2E)- | SCHEMBL15287558 | UNII-2HOK1JQ203 | (E)-1-pyridin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

PFK158 PFK158 is a potent and selective inhibitor of PFKFB3 . It has improved PK properties and causes ~80% growth inhibition in several mouse models of human-derived tumors.

Targets

PFKFB3

In vitro

PFK158 results in reduced glucose uptake, ATP production, lactate release as well as induction of apoptosis in gynecologic cancer cells. PFK158 treatment sensitizes chemoresistant cells and induces cell death.

Specifications

Synonymes

2HOK1JQ203 | HY-12203 | N17011 | (E)-1-(pyridin-4-yl)-3-(7-(trifluoromethyl)quinolin-2-yl)prop-2-en-1-one | AC-35725 | s8807 | 2-Propen-1-one, 1-(4-pyridinyl)-3-(7-(trifluoromethyl)-2-quinolinyl)-, (2E)- | SCHEMBL15287558 | UNII-2HOK1JQ203 | (E)-1-pyridin

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

PFK158 is a potent and selective inhibitor of PFKFB3. It has improved PK properties and causes ~80% growth inhibition in several mouse models of human-derived tumors.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

• ALogP: 4.108
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 528766630
• Sourires canoniques: C1=CC(=CC2=C1C=CC(=N2)C=CC(=O)C3=CC=NC=C3)C(F)(F)F
• IUPAC Name: (E)-1-pyridin-4-yl-3-[7-(trifluoromethyl)quinolin-2-yl]prop-2-en-1-one
• InChIKey: IAJOMYABKVAZCN-AATRIKPKSA-N
• INCHI: 1S/C18H11F3N2O/c19-18(20,21)14-3-1-12-2-4-15(23-16(12)11-14)5-6-17(24)13-7-9-22-10-8-13/h1-11H/b6-5+
• Isomères SMILES: C1=CC(=CC2=C1C=CC(=N2)/C=C/C(=O)C3=CC=NC=C3)C(F)(F)F
• PubChem CID: 71730058
• Poids moléculaire: 328.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl ketone - Pyridine - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: 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

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

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Enterobacter cloacae (7976 Activities)

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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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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 14
• DMSO (mM) Solubilité maximale: 42.6452222120686
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 328.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 328.082 Da
• Monoisotopic Mass: 328.082 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 471.000
• 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