YF-2 - 10mM in DMSO , CAS No.1311423-89-8

CAS: 1311423-89-8 Cat. No.: Y421209 Fórmula: C₂₀H₂₂ClF₃N₂O₃ Peso molecular: 430.85 PubChem CID: 53230697

GRAU & PUREZA 10mM in DMSO

Synonyms

BS-15116 | YF2 | YF-2 | UNII-N5WK32GRK4 | HY-16531 | SCHEMBL9951429 | EX-A3626 | N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide | N17041 | AKOS037648660 | YF 2;YF2 | N5WK32GRK4 | TZHLDFAKTWDTOW-UHFFFAOYSA-O | YF 2 | B

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

YF-2 YF-2 is a highly selective, blood-brain-barrier permeable activator of histone acetyltransferase (HAT) . In In vitro assays, YF-2 has activity versus CBP, PCAF, and GCN5 with EC50 of 2.75 μΜ, 29.04 μΜ and 49.3 μΜ, respectively. YF-2 also increases p300 activity.

Targets

HAT ; p300 ; CBP (Cell-based assay); PCAF (Cell-based assay); GCN5 (Cell-based assay) ; 2.75 μM(EC50); 29.04 μM(EC50); 49.3 μM(EC50)

Especificações

Sinónimos

BS-15116 | YF2 | YF-2 | UNII-N5WK32GRK4 | HY-16531 | SCHEMBL9951429 | EX-A3626 | N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide | N17041 | AKOS037648660 | YF 2;YF2 | N5WK32GRK4 | TZHLDFAKTWDTOW-UHFFFAOYSA-O | YF 2 | B

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

YF-2 is a highly selective, blood-brain-barrier permeable activator of histone acetyltransferase (HAT). In In vitro assays, YF-2 has activity versus CBP, PCAF, and GCN5 with EC50 of 2.75 μΜ, 29.04 μΜ and 49.3 μΜ, respectively. YF-2 also increases p300 act

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

4.676

Contagem HBD

1

Ligação rotativa

9

Nomes e identificadores

Pubchem Sid

528768527

Sorrisos canónicos

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

IUPAC Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide

InChIKey

TZHLDFAKTWDTOW-UHFFFAOYSA-N

INCHI

1S/C20H22ClF3N2O3/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24/h5-9,12H,4,10-11H2,1-3H3,(H,25,27)

SMILES isoméricas

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

PubChem CID

53230697

Peso molecular

430.85

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Trifluoromethylbenzenes Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 86
• DMSO (mM) Solubilidade máxima: 199.605431124521
• Água (mg/mL) Solubilidade máxima: 86
• Água (mM) Solubilidade máxima: 199.605431124521
• Peso molecular: 430.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 430.127 Da
• Monoisotopic Mass: 430.127 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 522.000
• 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