SVA 2870 - ≥98% , CAS No.722456-31-7

CAS: 722456-31-7 Cat. No.: V276146 Fórmula: C₁₈H₁₂N₆OS Peso molecular: 360.39 Número EC: 804-251-4 PubChem CID: 4058452

GRADE & PURITY ≥98%

Synonyms

XDB45631 | 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide | NOX Inhibitor III, VAS2870 | 3H-1,2,3-Triazolo(4,5-d)pyrimidine, 7-(2-benzoxazolylthio)-3-(phenylmethyl)- | HMS3872I13 | VAS 2870 | VAS2870, >=97% (HPLC) | AC-36874

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Conservar a temperatura ambiente. El producto puede conservarse hasta 12 meses.

Specifications

Sinónimos

XDB45631 | 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide | NOX Inhibitor III, VAS2870 | 3H-1,2,3-Triazolo(4,5-d)pyrimidine, 7-(2-benzoxazolylthio)-3-(phenylmethyl)- | HMS3872I13 | VAS 2870 | VAS2870, >=97% (HPLC) | AC-36874

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Inhibidor de la NADPH oxidasa. Bloquea la activación de NADPH mediada por PDGF y la producción de ROS. Inhibe la explosión oxidativa inducida por PMS (IC 50 = 2 μM, células HeLa). Muestra efectos antiisquémicos ex vivo.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

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

• Pubchem Sid: 504762816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762816
• Sonrisas canónicas: C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2
• IUPAC Name: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazole
• InChIKey: HZSOKHVVANONPV-UHFFFAOYSA-N
• INCHI: 1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2
• PubChem CID: 4058452
• Peso molecular: 360.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Triazolopyrimidines Benzoxazoles Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Triazoles Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Benzoxazole - Triazolopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Triazole - 1,2,3-triazole - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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)

NOX4 Tchem NADPH oxidase 4 (333 Activities)

Discover Target: NOX4

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 to 25 mM
• Peso molecular: 360.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 360.079 Da
• Monoisotopic Mass: 360.079 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 479.000
• 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. Yang Guang-xi, Peng De-liang, Chen Lin, Qian Yu, He Le, Chen Xiao-yan, Hong Wen-bin, Wu Cai-ming, Chen Hang-zi.  (2025)  Activation of AKT via a dual mechanism enhances the susceptibility of melanoma cells to glucose deprivation.  Cell Death & Disease,  16  (1): (1-15).  [PMID:40774947] [10.1038/s41419-025-07906-4]

2. Shuping Zou, Bing Zhang, Yuyue Han, Jinlong Liu, Kuo Zhao, Yaping Xue, Yuguo Zheng.  (2024)  Design of a cofactor self-sufficient whole-cell biocatalyst for enzymatic asymmetric reduction via engineered metabolic pathways and multi-enzyme cascade.  Biotechnology Journal,  19  (3): (2300744).  [PMID:38509791] [10.1002/biot.202300744]

3. Chen Junyi, Wang Huan, Wang Jinlin, Zheng Xixi, Qu Wantong, Fang Huijian, Wang Shuang, He Le, Hao Shuang, Dresselhaus Thomas.  (2025)  Fertilization-induced synergid cell death by RALF12-triggered ROS production and ethylene signaling.  Nature Communications,  16  (1): (1-18).  [PMID:40155397] [10.1038/s41467-025-58246-y]

4. Xia Hailun, Wu Jun, Fu Haoxin, Wang Peiqi, Li Ruibin, Cao Lu, Liu Ya-nan, Shi Lu, Xu Ren-ai.  (2026)  Exploring the impacts of flavonoid compounds on escitalopram metabolism: a combined in vitro and in vivo study.  MOLECULAR DIVERSITY,      [PMID:41498884] [10.1007/s11030-025-11439-5]

5. Liya Zhou, Hengrui Zuo, Yunting Liu, Chunliu Li, Ying He, Guanhua Liu, Li Ma, Ruxue Feng, Yanjun Jiang.  (2026)  Mining and Modification of Imine Reductase for Asymmetric Reduction of Cyclic Imines.  ChemCatChem,  18  (1): (e01574).  [PMID:] [10.1002/cctc.202501574]

Preguntas frecuentes

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

The CAS Number is 722456-31-7, the molecular formula is C18H12N6OS, and the molecular weight is 360.39 g/mol. InChIKey HZSOKHVVANONPV-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.