GRADE & PURITY ≥95%

Synonyms

SCHEMBL922292 | trans-4-Methoxycinnamate | Caswell No. 541 | Phenol, 4-(2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl)- | CAN 508 | CHEBI:42356 | 4-(3,5-Diamino-1H-pyrazol-4-ylazo)-phenol | 5-phenyl-4h-1,2,4-triazol-3-ylhydrosulfide | BDBM12028 | 3,5-diamino-4-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

SCHEMBL922292 | trans-4-Methoxycinnamate | Caswell No. 541 | Phenol, 4-(2-(3, 5-diamino-1H-pyrazol-4-yl)diazenyl)- | CAN 508 | CHEBI:42356 | 4-(3, 5-Diamino-1H-pyrazol-4-ylazo)-phenol | 5-phenyl-4h-1, 2, 4-triazol-3-ylhydrosulfide | BDBM12028 | 3, 5-diamino-4-

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Potent, selective Cdk9 kinase inhibitor (IC 50 = 350 nM). Moderate ATP-competitive Cdk2-cyclin E inhibitor (IC 50 = 20 µM). Induces cell cycle arrest, decreasing S-phase.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
• IUPAC Name: 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
• InChIKey: AYZRKFOEZQBUEA-UHFFFAOYSA-N
• INCHI: 1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
• Isómeros SMILES: C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
• Peso molecular: 218.22
• Reaxy-Rn: 22629665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22629665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Azo compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 218.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 218.092 Da
• Monoisotopic Mass: 218.092 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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