3-Hydroxy-1,2,3-ben zotriazin-4(3H)-one - ≥98% , CAS No.28230-32-2

CAS: 28230-32-2 Cat. No.: H106177 Peso molecular: 163.13 Número EC: 248-916-1

GRADE & PURITY ≥98%

Synonyms

3,4-dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazin | 3-hydroxy-4-oxo-3,4-dihydro-1,2,3-benzotriazine | 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one; 3 ,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine; 3-Hydroxy-3,4-dihydro-4-oxo-1,2,3-benzotriazine | Acetyl bromide-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3, 4-dihydro-3-hydroxy-4-oxo-1, 2, 3-benzotriazin | 3-hydroxy-4-oxo-3, 4-dihydro-1, 2, 3-benzotriazine | 3-Hydroxy-1, 2, 3-benzotriazin-4(3H)-one; 3 , 4-Dihydro-3-hydroxy-4-oxo-1, 2, 3-benzotriazine; 3-Hydroxy-3, 4-dihydro-4-oxo-1, 2, 3-benzotriazine | Acetyl bromide-2

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

STAT5-SUMO protein-protein interaction inhibitor. Blocks SUMOylation of phosphorylated STAT5. Reactivates latent HIV-1 reservoir in central memory T cells (TCM). Increases viral release by ~2.7-fold at a concentration of 100 μM in combination with IL-2 co

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754684
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754684
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)N(N=N2)O
• IUPAC Name: 3-hydroxy-1,2,3-benzotriazin-4-one
• InChIKey: HJBLUNHMOKFZQX-UHFFFAOYSA-N
• INCHI: 1S/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)O
• WGK Alemania: 3
• Peso molecular: 163.13
• Reaxy-Rn: 609382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzo-1,2,3-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzo-1,2,3-triazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,2,3-triazines
• Alternative Parents: Triazinones Benzenoids 1,2,3-triazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,2,3-triazine - Triazinone - 1,2,3-triazine - Benzenoid - Triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,2,3-triazines. These are organic compounds containing a 1,2,3-triazine ring fused to a benzene ring.
• 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: Solvent:DMSO, Max Conc. mg/mL: 16.31, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.16, Max Conc. mM: 50
• Punto de inflamación (°F): 58 °C
• Punto de inflamación (°C): 58°C
• Punto de fusión (°C): 181°C
• Peso molecular: 163.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 163.038 Da
• Monoisotopic Mass: 163.038 Da
• Topological Polar Surface Area: 65.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 229.000
• 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

Referencias

1. Shengjie Guan, Fan Wu, Qian Wu, Zhichao He, Jing Jiang, Yudong Huang, Li Liu.  (2022)  The preparation of rigid hybrid silicone resins by combining carbon nanomaterial loading nanoparticles.  POLYMER COMPOSITES,  43  (10): (7551-7563).  [PMID:] [10.1002/pc.26854]

2. Guimei Zhu, Shihua Long, Hao Sun, Wen Luo, Xia Li, Zaibin Hao.  (2013)  Determination of gibberellins in soybean using tertiary amine labeling and capillary electrophoresis coupled with electrochemiluminescence detection.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:24184838] [10.1016/j.jchromb.2013.10.004]