KRIBB11 - ≥98% , CAS No.342639-96-7

CAS: 342639-96-7 Cat. No.: K276193 Fórmula: C₁₃H₁₂N₆O₂ Peso molecular: 284.28

GRADE & PURITY ≥98%

Synonyms

2-N-(1H-Indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Enviado a 4°C. Almacenar a -20°C. Almacenar en la oscuridad.

Specifications

Sinónimos

2-N-(1H-Indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

El KRIBB11 puede impedir la proliferación de las células cancerosas. Tiene la capacidad de estimular la apoptosis celular y puede detener el ciclo celular en la fase G2/M. KRIBB11 es un inhibidor del factor de transcripción factor de choque térmico 1 (HSF

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Nota

Consulte la FDS para obtener más información. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504771966

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771966

Sonrisas canónicas

CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)NN=C3

IUPAC Name

2-N-(1H-indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

InChIKey

NDJJEQIMIJJCLL-UHFFFAOYSA-N

INCHI

1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)

Isómeros SMILES

CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)NN=C3

Peso molecular

284.28

Reaxy-Rn

14356094

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14356094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Nitroaromatic compounds Aminopyridines and derivatives Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Nitroaromatic compound - Aminopyridine - Imidolactam - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a 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

Objetivos asociados (humanos)

HCT-116 (91556 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO\xa0 to >75 mM
• Peso molecular: 284.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.102 Da
• Monoisotopic Mass: 284.102 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 376.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 342639-96-7, the molecular formula is C13H12N6O2, and the molecular weight is 284.28 g/mol. InChIKey NDJJEQIMIJJCLL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.