GRADE & PURITY ≥98%

Synonyms

4,4'-Thiobis(2-tert-butyl-6-methylphenol) | FTAXILIDE [INN] | Tox21_111986 | AKOS001678089 | Salicylic acid, 5-nitro- | 1-(Diisopropylamino)-2-chloroethane | lactobionate | SR-01000253137-3 | Ftaxilidum | Ftaxilide | Phenol, 2,4-di-tert-butyl- | Yoshinox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Ftaxilide Ftaxilide is a novel antituberculosis agent.

Specifications

Sinónimos

4, 4'-Thiobis(2-tert-butyl-6-methylphenol) | FTAXILIDE [INN] | Tox21_111986 | AKOS001678089 | Salicylic acid, 5-nitro- | 1-(Diisopropylamino)-2-chloroethane | lactobionate | SR-01000253137-3 | Ftaxilidum | Ftaxilide | Phenol, 2, 4-di-tert-butyl- | Yoshinox

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ftaxilide is a novel antituberculosis agent.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Propiedades del producto

• ALogP: 3.216
• hba_count: 2
• Recuento HBD: 1
• Enlace rotable: 3

Nombres e identificadores

• Pubchem Sid: 504754641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754641
• Sonrisas canónicas: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O
• IUPAC Name: 2-[(2,6-dimethylphenyl)carbamoyl]benzoic acid
• InChIKey: LLECMGGNFBKPRH-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
• Isómeros SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O
• Peso molecular: 269.3
• Reaxy-Rn: 2659992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2659992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzoic acids Benzamides m-Xylenes Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - M-xylene - Xylene - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Objetivos asociados (humanos)

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 54 mg/mL (200.51 mM); Ethanol: 13 mg/mL (48.27 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 54
• DMSO (mM) Solubilidad máxima: 200.519866320089
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 269.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.105 Da
• Monoisotopic Mass: 269.105 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 359.000
• 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