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ATN-224 - ≥98%, high purity , CAS No.649749-10-0

COA

Grade & Purity:

≥98%

Cas Number: 649749-10-0
Molecular Weight: 434.6
PubChem CID: 18442052

In stock

Item Number

A768899

Grouped product items
SKU	Size	Availability	Price	Qty
A768899-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$692.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

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
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

Names and Identifiers

IUPAC Name	bis(sulfanylidene)molybdenum;2-hydroxyethyl(trimethyl)azanium;sulfanide
INCHI	InChI=1S/2C5H14NO.Mo.2H2S.2S/c21-6(2,3)4-5-7;;;;;/h27H,4-5H2,1-3H3;;21H2;;/q2+1;;;;;/p-2
InChIKey	FSWNJZRQQVVVJT-UHFFFAOYSA-L
Smiles	C[N+](C)(C)CCO.C[N+](C)(C)CCO.[SH-].[SH-].S=[Mo]=S
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	434.600 g/mol
XLogP3
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 Å²
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

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