GRADE & PURITY ≥98%(HPLC)

Synonyms

5-Fluoroanthranilic acid | 5-fluoro-anthranilic acid | AM20061045 | CHEBI:78042 | BCP16119 | InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11 | 2-Amino-5-fluorobenzoic acid, 97% | 5-FLUORO-2-AMINOBENZOIC ACID | 5VD9746EAR | 2-Amino-5-fluorob

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

It is used for the counterselection of TRP1. It is a commonly used genetic marker in the yeast Saccharoyces Cerevisiae. An antimetabolite for the tryptophan pathway in yeast, and is toxic via its antimetabolite conversion to 5-Fluorotryptophan.
An antimetabolite for the tryptophan pathway in yeast

Specifications

Synonyms

5-Fluoroanthranilic acid | 5-fluoro-anthranilic acid | AM20061045 | CHEBI:78042 | BCP16119 | InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H, 9H2, (H, 10, 11 | 2-Amino-5-fluorobenzoic acid, 97% | 5-FLUORO-2-AMINOBENZOIC ACID | 5VD9746EAR | 2-Amino-5-fluorob

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504756483
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756483
• Canonical Smiles: C1=CC(=C(C=C1F)C(=O)O)N
• IUPAC Name: 2-amino-5-fluorobenzoic acid
• InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N
• INCHI: 1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1F)C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 155.13
• Beilstein: 2803660
• Reaxy-Rn: 2803664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: 3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes Aryl fluorides Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary amines Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• External Descriptors: organofluorine compound - aminobenzoic acid

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(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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 (partly), methanol, DMSO, and ethanol.
• Melt Point(°C): 180 °C
• Molecular Weight: 155.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.038 Da
• Monoisotopic Mass: 155.038 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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. Feifei Hou, Dexin Feng, Mo Xian, Wei Huang.  (2021)  De Novo Biosynthesis and Whole-Cell Catalytic Production of 2-Acetamidophenol in Escherichia coli.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34965133] [10.1021/acs.jafc.1c06910]