HNHA - Moligand™, ≥98% , CAS No.926908-04-5

CAS: 926908-04-5 Cat. No.: H274734 Peso molecular: 303.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

BMB90804 | GTPL7911 | HY-118672 | CCG-208687 | CHEBI:94741 | N-hydroxy-7-(naphthalen-2-ylthio)heptanamide | AS-66085 | D83880 | SCHEMBL17141115 | AKOS016371022 | Q27077989 | Histone Deacetylase Inhibitor VI, HNHA | N-Hydroxy-7-[(naphthalen-2-yl)sulfanyl]h

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Conservar a -20°C.

Specifications

Sinónimos

BMB90804 | GTPL7911 | HY-118672 | CCG-208687 | CHEBI:94741 | N-hydroxy-7-(naphthalen-2-ylthio)heptanamide | AS-66085 | D83880 | SCHEMBL17141115 | AKOS016371022 | Q27077989 | Histone Deacetylase Inhibitor VI, HNHA | N-Hydroxy-7-[(naphthalen-2-yl)sulfanyl]h

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Potente inhibidor de HDAC permeable a las células (IC 50 = 100 nM). Induce la hiperacetilación de histonas y la transcripción de p21 con inhibición concomitante de la progresión del ciclo celular. Detiene el ciclo celular en la fase G 1 /S en células canc

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)SCCCCCCC(=O)NO
• IUPAC Name: N-hydroxy-7-naphthalen-2-ylsulfanylheptanamide
• InChIKey: KPNNXHVGOKRBEF-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)SCCCCCCC(=O)NO
• Peso molecular: 303.42
• Reaxy-Rn: 25966830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25966830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Hydroxamic acids Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Thiophenol ether - Aryl thioether - Alkylarylthioether - Hydroxamic acid - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM
• Peso molecular: 303.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 303.129 Da
• Monoisotopic Mass: 303.129 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 311.000
• 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