KCC 07 - ≥98%(HPLC) , CAS No.315702-75-1

CAS: 315702-75-1 Cat. No.: K288208 Fórmula: C₁₄H₁₁N₃OS Peso molecular: 269.32

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-[[4-(2-Pyridinyl)-2-thiazolyl]amino]phenol | KCC-07

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-[[4-(2-Pyridinyl)-2-thiazolyl]amino]phenol | KCC-07

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

MBD2 (Methyl-CpG-binding domain protein 2) inhibitor. Prevents binding of MBD2 to methylated DNA and activates brain specific angiogenesis inhibitor 1 (BAI1)/p53 signaling. Inhibits medulloblastoma (MB) cell growthin vitroand reduces tumor size in mice be

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

528765037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765037

Sorrisos canónicos

C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O

IUPAC Name

3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol

InChIKey

GIGNWEDIMLUWCT-UHFFFAOYSA-N

INCHI

1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)

SMILES isoméricas

C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O

Peso molecular

269.32

Reaxy-Rn

28751980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28751980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: m-Aminophenols 2,4-disubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: M-aminophenol - Aminophenol - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1,3-thiazol-2-amine - Pyridine - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Alvos associados (humanos)

MECP2 Tchem Methyl-CpG-binding protein 2 (12 Activities)

Discover Target: MECP2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 26.93, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.39, Max Conc. mM: 20
• Peso molecular: 269.320 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.062 Da
• Monoisotopic Mass: 269.062 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 292.000
• 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