GRADE & PURITY Analytical standard, Moligand™

Synonyms

1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4(1H)-pyridinone | Fluridon

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

An Inhibitor of ABA synthesis.

Specifications

Synonyms

1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4(1H)-pyridinone | Fluridon

Specifications & Purity

analytical standard, Moligand™

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard, Moligand™

Names and Identifiers

• Canonical Smiles: CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
• IUPAC Name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
• InChIKey: YWBVHLJPRPCRSD-UHFFFAOYSA-N
• INCHI: 1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
• Isomeric SMILES: CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
• WGK Germany: 2
• RTECS: UU7786500
• Molecular Weight: 329.32
• Beilstein: 1547990
• Reaxy-Rn: 1547990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1547990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Trifluoromethylbenzenes Dihydropyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Trifluoromethylbenzene - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: Pesticides

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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (12 mg/l) at 25 °C.
• Sensitivity: light sensitive
• Melt Point(°C): 154-155°C
• Molecular Weight: 329.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 329.103 Da
• Monoisotopic Mass: 329.103 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 543.000
• 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

References

1. Zeng Q. -P., Zeng X. -M., Yang R. -Y., Yang X. -Q..  (2011)  Singlet oxygen as a signaling transducer for modulating artemisinin biosynthetic genes in Artemisia annua.  BIOLOGIA PLANTARUM,  55  (4): (669-674).  [PMID:] [10.1007/s10535-011-0166-8]

2. Yue-Ying Qin, Yuan Gong, Su-Yun Kong, Zhi-Yuan Wan, Jia-Qi Liu, Ke Xing, Sheng Qin.  (2024)  Aerial signaling by plant-associated Streptomyces setonii WY228 regulates plant growth and enhances salt stress tolerance.  MICROBIOLOGICAL RESEARCH,      [PMID:38959523] [10.1016/j.micres.2024.127823]