CAS 832733-28-5

9,12-bis(carboxymethyl)-7-oxo-2-oxa-3-thia-6,9,12-triazatetradecan-14-oic acid 3-oxide 3-sulfide

Description:

The chemical substance known as "9,12-bis(carboxymethyl)-7-oxo-2-oxa-3-thia-6,9,12-triazatetradecan-14-oic acid 3-oxide 3-sulfide," with the CAS number 832733-28-5, is a complex organic compound characterized by its unique structural features, including multiple functional groups such as carboxymethyl, oxo, and thia moieties. This compound is likely to exhibit properties typical of carboxylic acids, including solubility in polar solvents and potential reactivity with bases and nucleophiles. The presence of nitrogen atoms in its triazine-like structure suggests possible coordination chemistry and biological activity, potentially making it relevant in pharmaceutical or biochemical applications. Additionally, the presence of sulfur in the sulfide form may impart unique electronic properties and reactivity patterns. Overall, this compound's intricate structure and functional diversity may contribute to its utility in various chemical and biological contexts, although specific applications would depend on further research and characterization.

Formula: C₁₃H₂₃N₃O₉S₂

InChI: InChI=1/C13H23N3O9S2/c1-25-27(24,26)5-2-14-10(17)6-15(7-11(18)19)3-4-16(8-12(20)21)9-13(22)23/h2-9H2,1H3,(H,14,17)(H,18,19)(H,20,21)(H,22,23)

SMILES: COS(=O)(=S)CCN=C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)O

[S-Methanethiosulfonylcysteaminyl]ethylenediamine-N,N,N’,N’-Tetraacetic Acid(mixture of mono-MTS and bis-MTS) (~90%)

Controlled Product

CAS: 832733-28-5

Stability Moisture sensitive
Applications A thiol reactive iron chelator.
References Arya, R., et al.: Bioconjugate Chem 1991, 2, 323,,,Ebright, Y; Biochemistry 1992, 31, 10664,,,Gaponenko, V; Biochemistry 2000, 39, 15217, Vogtherr, M; J Mol Biol 2002, 318, 1097,,Vogtherr, M; J Mol Biol 2002, 318, 1097

Formula: C₁₃H₂₃N₃O₉S₂

Purity: ~90%

Color and Shape: Neat

Molecular weight: 429.46

Ref: TR-M258835