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

CAS: 28230-32-2 Cat. No.: H106177 Molecular Weight: 163.13 EC Number: 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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754684
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754684
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzo-1,2,3-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 16.31, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.16, Max Conc. mM: 50
• Flash Point(°F): 58 °C
• Flash Point(°C): 58°C
• Melt Point(°C): 181°C
• Molecular Weight: 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

References

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]