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

CAS: 315702-75-1 Cat. No.: K288208 Formule: C₁₄H₁₁N₃OS Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

528765037

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 26.93, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.39, Max Conc. mM: 20
• Poids moléculaire: 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