2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.13,7]decane , Thioredoxin reductase 1 inhibitor, CAS No.12505-67-8, Thioredoxin reductase 1 inhibitor

CAS: 12505-67-8 Cat. No.: H668302 Molecular Weight: 395.68
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Synonyms
CHEBI:30621 | NSC-759274 | As4O6 | tetraarsenic oxide | tricyclo[3.3.1.1~3,7~]tetraarsoxane | arsenic oxide (As4O6) | As2O3 | Arsentrioxid | Arseneous oxide | 12505-67-8 | DTXSID40925001 | KTTMEOWBIWLMSE-UHFFFAOYSA-N | HMS2093H20 | Pharmakon1600-01505957
Storage
Room temperature
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Size
Status
Price
Qty
1mg
H668302-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
H668302-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CHEBI:30621 | NSC-759274 | As4O6 | tetraarsenic oxide | tricyclo[3.3.1.1~3, 7~]tetraarsoxane | arsenic oxide (As4O6) | As2O3 | Arsentrioxid | Arseneous oxide | 12505-67-8 | DTXSID40925001 | KTTMEOWBIWLMSE-UHFFFAOYSA-N | HMS2093H20 | Pharmakon1600-01505957
Storage
Room temperature
Action Type
INHIBITOR
Mechanism of action
Thioredoxin reductase 1 inhibitor
Names and Identifiers
Canonical SmilesO1[As]2O[As]3O[As]1O[As](O2)O3
IUPAC Name2,4,6,8,9,10-hexaoxa-1,3,5,7-tetrarsatricyclo[3.3.1.13,7]decane
InChIKeyKTTMEOWBIWLMSE-UHFFFAOYSA-N
INCHI1S/As4O6/c5-1-6-3-8-2(5)9-4(7-1)10-3
Isomeric SMILES O1[As]2O[As]3O[As]1O[As](O2)O3
Molecular Weight 395.68
Reaxy-Rn 16502683
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16502683&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomInorganic compounds
SuperclassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
SubclassMiscellaneous metallic oxoanionic compounds
Intermediate Tree Nodes Not available
Direct ParentMiscellaneous arsenites
Alternative Parents Trivalent inorganic arsenic compounds  Metalloid salts  Inorganic salts  
Molecular FrameworkNot available
Substituents Arsenite - Trivalent inorganic arsenic compound - Inorganic salt - Inorganic metalloid salt - Inorganic arsenic compound
DescriptionThis compound belongs to the class of inorganic compounds known as miscellaneous arsenites. These are inorganic compounds in which the largest metallic oxoanion is arsenite, to which either no atom or a non metal atom is bonded.
External Descriptors arsenic oxide
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TXNRD2 Tbio Thioredoxin reductase 2 (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight395.680 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass395.656 Da
Monoisotopic Mass395.656 Da
Topological Polar Surface Area55.400 Ų
Heavy Atom Count10
Formal Charge0
Complexity84.800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Xin Zhou, Qianwei Liang, Boqian Yang, Yuyu Chen, Yuanyuan Fang, Hanjin Luo, Yushan Liu.  (2020)  Rational design an amorphous multifunctional δ-MnO2@Fe/Mg-MIL-88B nanocomposites with tailored components for efficient and rapid removal of arsenic in water.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2020.125141]
2. Zhigang Wei, Yangfei Fang, Zhenrui Wang, Yue Liu, Yang Wu, Kai Liang, Jiahong Yan, Zhanchang Pan, Guanghui Hu.  (2019)  pH effects of the arsenite photocatalytic oxidation reaction on different anatase TiO2 facets.  CHEMOSPHERE,      [PMID:30889407] [10.1016/j.chemosphere.2019.03.017]
3. Lan Yuecun, Luo Hanjin, Ren Xiaohui, Wang Yiping, Liu Yuze.  (2012)  Anodic stripping voltammetric determination of arsenic(III) using a glassy carbon electrode modified with gold-palladium bimetallic nanoparticles.  MICROCHIMICA ACTA,  178  (1): (153-161).  [PMID:] [10.1007/s00604-012-0827-0]
4. Huafeng Li, Hui Kong, Jianzhong Guo, Bing Li, Shanshan Zhang, Suzhi Li, Junwei Zhao, Liqun Bai.  (2024)  First Photocatalytic Synthesis of Cyclic Carbonates from CO2 Using Bromide-Functionalized Polyoxometalate without Additional Cocatalyst.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c06676]
5. Hao Zhu, Wenhui Lin, Liwen Fan.  (2023)  Novel Method for the Arsenic Removal Experiment and Mechanism Analysis.  ACS Omega,      [PMID:37810684] [10.1021/acsomega.3c03590]
6. Fei Li, Sihai Zhang, Nengwu Zhu, Junyao Ke, Yun Zhao, Weiwen Ma, Pingxiao Wu.  (2023)  Strong binding of heavy metals in fayalite of copper smelting slags: Lattice site substitution.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36603619] [10.1016/j.scitotenv.2022.161351]
7. Su Huanhuan, Lv Xiang, Zhang Zhengyi, Yu Jiajie, Wang Tianhe.  (2017)  Arsenic removal from water by photocatalytic functional Fe2O3–TiO2 porous ceramic.  JOURNAL OF POROUS MATERIALS,  24  (5): (1227-1235).  [PMID:] [10.1007/s10934-017-0362-9]
Solution Calculators
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