2-Fluoropalmitic acid - ≥98% , CAS No.16518-94-8

CAS: 16518-94-8 Cat. No.: F647550 Molecular Weight: 274.41

GRADE & PURITY ≥98%

Synonyms

HMS1989G17 | BML3-C06 | 2-fluoropalmitic acid | KBio3_000270 | NCGC00161355-01 | CHEBI:94978 | HMS1791G17 | 2-FLUOROPALMITICACID | CBiol_002000 | HMS1361G17 | KBioSS_000135 | SCHEMBL337296 | Bio2_000615 | Bio1_001264 | KBio2_000135 | NCGC00161355-02 | SR-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2-Fluoropalmitic acid, an acyl-CoA synthetase inhibitor, acts as a candidate anti-glioma agent. 2-Fluoropalmitic acid suppresses the viability and stem-like phenotype of glioma stem cells (GSCs). 2-Fluoropalmitic acid also inhibits proliferation and invasion of glioma cell lines.

Form:Solid

Specifications

Synonyms

HMS1989G17 | BML3-C06 | 2-fluoropalmitic acid | KBio3_000270 | NCGC00161355-01 | CHEBI:94978 | HMS1791G17 | 2-FLUOROPALMITICACID | CBiol_002000 | HMS1361G17 | KBioSS_000135 | SCHEMBL337296 | Bio2_000615 | Bio1_001264 | KBio2_000135 | NCGC00161355-02 | SR-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

2-Fluoropalmitic acid, an acyl-CoA synthetase inhibitor, acts as a candidate anti-glioma agent. 2-Fluoropalmitic acid suppresses the viability and stem-like phenotype of glioma stem cells (GSCs). 2-Fluoropalmitic acid also inhibits proliferation and invas

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCC(C(=O)O)F
• IUPAC Name: 2-fluorohexadecanoic acid
• InChIKey: JGRIJJOLCNCSNX-UHFFFAOYSA-N
• INCHI: 1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
• Isomeric SMILES: CCCCCCCCCCCCCCC(C(=O)O)F
• Alternate CAS: 16518-94-8
• NSC Number: 158288
• MeSH Entry Terms: 2-fluorohexadecanoic acid;2-fluoropalmitic acid;DL-alpha-fluoropalmitic acid
• Molecular Weight: 274.41
• Reaxy-Rn: 1911045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Halogenated fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Halogenated fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Halogenated fatty acids

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)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

Associated Targets(non-human)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (364.42 mM; Need ultrasonic)
• Molecular Weight: 274.410 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 274.231 Da
• Monoisotopic Mass: 274.231 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1