Ftaxilide - ≥98% , CAS No.19368-18-4

CAS: 19368-18-4 Cat. No.: F413466 Formula: C₁₆H₁₅NO₃ Molecular Weight: 269.3 EC Number: 666-316-1

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

Overview

Information

Ftaxilide Ftaxilide is a novel antituberculosis agent.

Specifications

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Ftaxilide is a novel antituberculosis agent.

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%

Product Properties

alogp

3.216

hba_count

2

hbd_count

1

rotatable_bond

3

Names and Identifiers

Pubchem Sid

504754641

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754641

Canonical Smiles

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)

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 54 mg/mL (200.51 mM); Ethanol: 13 mg/mL (48.27 mM); Water: Insoluble
• dmso_mg_max_solubility: 54
• dmso_mM_max_solubility: 200.519866320089
• water_mg_max_solubility: ＜1
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19368-18-4, the molecular formula is C16H15NO3, and the molecular weight is 269.3 g/mol. InChIKey LLECMGGNFBKPRH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.