VAS 2870 - 10mM in DMSO , CAS No.722456-31-7

CAS: 722456-31-7 Cat. No.: V425664 Molecular Weight: 360.39 EC Number: 804-251-4 PubChem CID: 4058452

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

NADPH oxidase inhibitor. Blocks PDGF-mediated NADPH activation and ROS production. Inhibits PMS-induced oxidative burst (IC 50 = 2 μM, HeLa cells). Shows anti-ischemic effects ex vivo.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2
• PubChem CID: 4058452
• Molecular Weight: 360.39

Taxonomic Classification

Taxonomy Tree

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

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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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

References

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]