FB23-2 - ≥98% , CAS No.2243736-45-8

CAS: 2243736-45-8 Cat. No.: F414211 Molecular Weight: 392.24

GRADE & PURITY ≥98%

Synonyms

Benzamide,2-​[[2,​6-​dichloro-​4-​(3,​5-​dimethyl-​4-​isoxazolyl)​phenyl]​amino]​-​N-​hydroxy-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

FB23-2 FB23-2 is a potent and selective FTO inhibitor that directly binds to FTO and selectively inhibits FTO's N 6 -methyladenosine (m 6 A) demethylase activity with IC50 of 2.6 μM.

Targets

FTO (Cell-free assay) 2.6 μM

In vitro

FB23-2 directly binds to FTO and selectively inhibits FTO’s m⁶A demethylase activity. Mimicking FTO depletion, FB23-2 dramatically suppresses proliferation and promotes the differentiatiopoptosis of human acute myeloid leukemia (AML) cell line cells and primary blast AML cells in vitro.

In vivo

FB23-2 significantly inhibits the progression of human AML cell lines and primary cells in xeno-transplanted mice.

Cell Research(from reference)

Cell lines：Leukemia cells NB4, U937, MV4-11, ML-2; MONOMAC6 (ACC-124) cells; 293T cells; The mouse bone marrow cells FLT3ITD/NPM1, MA9 

Concentrations：10 μM, 5 μM 

Incubation Time：24 h, 72 h 

Specifications

Synonyms

Benzamide, 2-​[[2, ​6-​dichloro-​4-​(3, ​5-​dimethyl-​4-​isoxazolyl)​phenyl]​amino]​-​N-​hydroxy-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

FB23-2 is a potent and selective FTO inhibitor that directly binds to FTO and selectively inhibits FTO's N⁶-methyladenosine (m⁶A) demethylase activity with IC50 of 2.6 μM.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 4.124
• hba_count: 3
• HBD Count: 2
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 504773534
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773534
• Canonical Smiles: CC1=C(C(=NO1)C)C2=CC(=C(C(=C2)Cl)NC3=CC=CC=C3C(=O)NO)Cl
• IUPAC Name: 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-hydroxybenzamide
• InChIKey: ILHNIWOZZKIBNW-UHFFFAOYSA-N
• INCHI: 1S/C18H15Cl2N3O3/c1-9-16(10(2)26-23-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(24)22-25/h3-8,21,25H,1-2H3,(H,22,24)
• Isomeric SMILES: CC1=C(C(=NO1)C)C2=CC(=C(C(=C2)Cl)NC3=CC=CC=C3C(=O)NO)Cl
• Molecular Weight: 392.24
• Reaxy-Rn: 34262698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34262698&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Chlorobenzenes Vinylogous amides Isoxazoles Heteroaromatic compounds Hydroxamic acids Amino acids and derivatives Vinyl chlorides Oxacyclic compounds Dialkylamines Chloroalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Heteroaromatic compound - Vinylogous amide - Isoxazole - Azole - Hydroxamic acid - Amino acid or derivatives - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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)

NB-4 (999 Activities)

Explore this target

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

FTO Tchem Alpha-ketoglutarate-dependent dioxygenase FTO (473 Activities)

Discover Target: FTO

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: 78 mg/mL (198.85 mM); Water: Insoluble; Ethanol: Insoluble
• Sensitivity: Light sensitive
• DMSO(mg / mL) Max Solubility: 78
• DMSO(mM) Max Solubility: 198.857842137467
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 392.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 391.049 Da
• Monoisotopic Mass: 391.049 Da
• Topological Polar Surface Area: 87.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 486.000
• 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