Tasquinimod - Moligand™, ≥98% , Allosteric modulator of histone deacetylase 4, CAS No.254964-60-8, Allosteric modulator of histone deacetylase 4

CAS: 254964-60-8 Cat. No.: T125086 Peso molecular: 406.36 PubChem CID: 54682876

GRADE & PURITY Moligand™, ≥98%

Synonyms

AC-32481 | N-Methyl-N-(4-trifluoromethyl-phenyl)-1,2-dihydro-4-hydroxy-5-methoxy-1-methyl-2-oxo-quinoline-3-carboxamide | UNII-756U07KN1R | 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide | 4-Hydroxy-5-methoxy-N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AC-32481 | N-Methyl-N-(4-trifluoromethyl-phenyl)-1, 2-dihydro-4-hydroxy-5-methoxy-1-methyl-2-oxo-quinoline-3-carboxamide | UNII-756U07KN1R | 4-hydroxy-5-methoxy-N, 1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide | 4-Hydroxy-5-methoxy-N

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

High affinity negative allosteric modulator of HDAC4 (Kd= 10 - 30 nM). Binds the regulatory Zn2+binding domain of HDAC4. Suppresses hypoxia-induced decrease in histone acetylation in human prostate cancer cellsin vitro. Also binds S100A9. Antiangiogenic.

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.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of histone deacetylase 4

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201697
• Sonrisas canónicas: CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O
• IUPAC Name: 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
• InChIKey: ONDYALNGTUAJDX-UHFFFAOYSA-N
• INCHI: 1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
• Isómeros SMILES: CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O
• PubChem CID: 54682876
• Peso molecular: 406.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Quinoline-3-carboxamides Hydroquinolones Trifluoromethylbenzenes Hydroquinolines Pyridinecarboxylic acids and derivatives Anisoles Pyridinones Alkyl aryl ethers Hydroxypyridines Vinylogous amides Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Trifluoromethylbenzene - Quinoline - Pyridine carboxylic acid or derivatives - Anisole - Alkyl aryl ether - Pyridinone - Hydroxypyridine - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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)

HDAC4 Tclin Histone deacetylase 4 (1 Activities)

Discover Target: HDAC4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

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

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: Solvent:DMSO, Max Conc. mg/mL: 40.64, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.13, Max Conc. mM: 20
• Peso molecular: 406.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 406.114 Da
• Monoisotopic Mass: 406.114 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 686.000
• 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