ATN-224 - ≥98% , CAS No.649749-10-0

CAS: 649749-10-0 Cat. No.: A768899 Formula: C₁₀H₃₀MoN₂O₂S₄ Molecular Weight: 434.6 PubChem CID: 18442052

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

ATN-224 is a Cu2+/Zn2+-superoxide dismutase 1 (SOD1) inhibitor.ATN-224 acts on endothelial cells and inhibits SOD1 activity with an IC50 of 17.5±3.7 nM.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

Canonical Smiles

C[N+](C)(C)CCO.C[N+](C)(C)CCO.[SH-].[SH-].S=[Mo]=S

IUPAC Name

bis(sulfanylidene)molybdenum;2-hydroxyethyl(trimethyl)azanium;sulfanide

InChIKey

FSWNJZRQQVVVJT-UHFFFAOYSA-L

INCHI

1S/2C5H14NO.Mo.2H2S.2S/c2*1-6(2,3)4-5-7;;;;;/h2*7H,4-5H2,1-3H3;;2*1H2;;/q2*+1;;;;;/p-2

Isomeric SMILES

C[N+](C)(C)CCO.C[N+](C)(C)CCO.[SH-].[SH-].S=[Mo]=S

Alternate CAS

649749-10-0

PubChem CID

18442052

MeSH Entry Terms

ammonium tetrathiomolybdate;ATN-224;tetrathiomolybdate;tetrathiomolybdate bis-choline salt;tetrathiomolybdate, dipotassium salt;tetrathiomolybdate, disodium salt;thiomolybdate;TTM cpd

Molecular Weight

434.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholines
• Alternative Parents: Tetraalkylammonium salts 1,2-aminoalcohols Organic transition metal salts Primary alcohols Organic zwitterions Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Organic transition metal salt - Alkanolamine - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• 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

• Molecular Weight: 434.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 436.024 Da
• Monoisotopic Mass: 436.024 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 65.700
• 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: 5

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 649749-10-0, the molecular formula is C10H30MoN2O2S4, and the molecular weight is 434.6 g/mol. InChIKey FSWNJZRQQVVVJT-UHFFFAOYSA-L.

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.