129422-96-4

Usage

Explanation

The compound consists of 11 carbon atoms, 17 hydrogen atoms, 3 nitrogen atoms, 2 oxygen atoms, and 1 sulfur atom.
2. Organic heterocyclic compound

Explanation

It contains a ring structure with different elements (heteroatoms) such as nitrogen and sulfur in its molecular structure.
3. Sulfonyl derivative

Explanation

It has a sulfonyl group (-SO2-) attached to a 1H-1,4,7-triazonine ring, which contributes to its diverse biological activities.
4. Potential applications in pharmaceutical and agrochemical industries

Explanation

Due to its various biological activities, 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- can be used in the development of new drugs and agrochemicals.

Explanation

The compound has been shown to possess these properties, making it a potential therapeutic agent for various medical conditions.
6. Building block in organic synthesis and medicinal chemistry

Explanation

It can be used as a starting material or intermediate in the synthesis of novel drug candidates and agrochemicals.
7. Promising biological activities

Explanation

Studies have demonstrated that 1H-1,4,7-Triazonine, octahydro-1-[(4-methylphenyl)sulfonyl]- exhibits potential for further development as a therapeutic agent due to its positive biological effects.

Biological activities

anticonvulsant, anti-inflammatory, and analgesic properties

Upstream product

• 6315-52-2 1,2-bis-tosyloxyethane 
• 134209-57-7 N,N''-bis(diethoxyphosphoryl)-N'-tosyldiethylenetriamine 
• 52667-89-7 N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 98-59-9 p-toluenesulfonyl chloride 
• 16695-22-0 N,N-bis(tosyloxyethyl)-p-toluenesulfonamide 
• 107-15-3 ethylenediamine 
• 56187-04-3 1,4,7-tritosyl-1,4,7-triazaheptane 

Downstream Products

• 132533-69-8 7,10,13,22-Tetrakis-(toluene-4-sulfonyl)-4,16-dioxa-1,7,10,13,19,22-hexaaza-bicyclo[17.5.2]hexacosane-2,18-dione 
• 226917-73-3 4,10-bis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-bicyclo[5.5.2]tetradecane-2,6-dione 
• 168324-42-3 C₃₁H₄₃N₅O₆S₃ 
• 1022983-26-1 1-(p-toluenesulfonyl)-4,7-di(picolyl)-1,4,7-triazacyclononane 
• 1092370-25-6 C₂₅H₄₁N₃O₆S 
• 188116-51-0 1,4-dimethyl-7-tosyl-1,4,7-triazacyclononane 
• 95388-08-2 N,N'-bis(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 1383561-98-5 1,4-bis(2-mercaptoethyl)-7-(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 226917-74-4 4,10-bis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-bicyclo[5.5.2]tetradecane 
• 266346-06-9 [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester 
• 266346-08-1 [4,7-bis-(3-amino-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester 
• 266346-07-0 [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid 
• 266346-05-8 1,4-bis-(3-nitro-benzyl)-[1,4,7]triazonane 
• 266346-04-7 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane 

Relevant academic research and scientific papers

DNA hydrolysis catalyzed by tris(diisopropyl-1,4,7-triazacyclononanes) ethane metal complexes

Novel trinuclear coordinated ligands were designed using three of 1,4,7-triazacyclononane moieties with a tribromo linker. These ligands show greater capability and potency in association with various metal ions. Tris(diisopropyl-1,4,7-triazacyclononanes)ethane (2) associated with Cu 2+ and Ce4+ ions shows better reactivity to achieve DNA hydrolysis at 37 °C at pH 8 for 5 hr. Using high resolution of polyacrylamide gel electrophoresis, DNA cleavage reaction in Tris-HCl buffer causes a nicking site at the single-stranded region. Alternatively, the reaction in HEPES buffer shows a random DNA cleavage included the double-stranded region. Hydrolysis of phosphodiester bond mediated by trinuclear metal complex is capable of performing at the physiological temperature 37 °C, but it has a lower reactivity compared to mono- and di-nuclear metal complexes. The result suggests that trinuclear metal complexes have a bulky environment to prevent from going toward the phosphodiester bond. The design of an efficient chemical hydrolyase will be a challenge in order to construct a coordinate ligand with the enhancement of hydrolytic activity and the reduction of the steric environment.

Optimized synthesis and indium complex formation with the bifunctional chelator NODIA-Me

The bifunctional chelator NODIA-Me holds promise for radiopharmaceutical development. NODIA-Me is based on the macrocycle TACN (1,4,7-triazacyclononane) and incorporates two additional methylimidazole arms for metal chelation and an acetic acid residue fo

Acceleration of hydrolytic DNA cleavage by dicopper(II) complexes with p-cresol-derived dinucleating ligands at slightly acidic pH and mechanistic insights

Four dicopper(II) complexes, [Cu2(ˉ-X)(bcmp)](ClO4)2 [X = OH (1a) and X = Cl (1b)], [Cu2(ˉ-OH)(Me4bcmp)]-(ClO4)2 (2), and [Cu2(bcc)](ClO4)3 (3),

Tripodal tris-tacn and tris-dpa platforms for assembling phosphate-templated trimetallic centers

Multidentate tripodal ligands, N(CH2-m-C6H 4-CH2tacn)3 (L1) and N(CH2-o-C 6H4-CH2N(CH2py)2) 3 (L2), have been devised for assembling high-nuclearity metal clusters. By using the same tripodal platform with different ligand appendages, either triazacyclononanes or dipicolylamines, and functionalizing either the ortho or the meta positions on the tris(xylyl) linker arms, discrete trimetal phosphate units of relevance to phosphate-metabolizing trimetallic centers in biology were prepared. Four such compounds, [(CuIICl) 3(HPO4)L1](PF6) (1), [(CuIICl) 3(HAsO4)L1](PF6) (2), Na2[Mn III6MnII2(H2O) 2(HPO4)6(PO4)4(L1) 2] (3), and [CoII3(H2PO 4)Cl2(MeCN)L2](PF6)3 (4), all containing three metal centers bound to a central phosphate or arsenate unit bridging oxygen atoms, have been synthesized and structurally characterized. These results demonstrate the propensity of this novel tripodal ligand platform, in the presence of phosphate or arsenate, to assemble {M3(EO 4)} units and thus structurally mimic trimetallic active sites of proteins involved in phosphate metabolism. Reactivity studies reveal that the tricopper complex 1 is more efficient than monocopper analogues in catalyzing the hydrolysis of 4-nitrophenyl phosphate.

An improved synthesis of 1,4,7-triazacyclononanes (tacns) and 1,4,7,10-tetraazacyclododecanes (cyclens)

Reaction of tosylbis[2-(tosyloxy)ethyl]amine with ethylenediamine gives 1-tosyl-1,4,7-triazacyclononane in good yield. A similar reaction of tosylbis[2-(tosyloxy)ethyl]amine with diethylenetriamine gives 1-tosyl-1,4,7,10-tetraazacyclododecane. These tosyl

Significant relaxivity gap between a low-spin and a high-spin iron(II) complex of structural similarity: An attractive off-on system for the potential design of responsive MRI probes

We have identified a pair of structurally similar iron complexes in the oxidation state ii that exist in a low-spin and a high-spin electronic spin state in aqueous media, respectively. The low-spin, diamagnetic complex (LS, 1) is mute in MRI while the high-spin, paramagnetic complex (HS, 2) generates considerable contrast in MRI. These results demonstrate that iron(ii) complexes, hitherto neglected for contrast enhancement in MRI, have potential for the design of an MRI probe that suffers passage from one state to the other under the influence of a targeted biochemical activity and thus operates in an off-on mode. At 300 MHz (proton resonance frequency at 7 T field strength) and in phosphate buffer, we found a longitudinal relaxivity (r1) of 1.29 mM -1 s-1 for 2 that, in light of the difference in unpaired electrons of the central metal atoms (4 for FeII; 7 for Gd III), comes remarkably close to that of gadolinium(iii)-DOTA (2.44 mM-1 s-1), a commercialized MRI contrast agent. Since gadolinium complexes are always paramagnetic and can therefore not be muted in MRI, the here presented Fe(ii)-based system offers an alternative strategy to develop responsive MRI probes. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

NODAPA-OH and NODAPA-(NCS)n: Synthesis, 68Ga-radiolabelling and in vitro characterisation of novel versatile bifunctional chelators for molecular imaging

This report concerns synthesis, 68Ga-radiolabelling and stability data of 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-isothio-cyanatophenyl-acetic acid (NODAPA-NCS), 1,4,7-triazacyclononane-1-acetic acid-4,7-di-p-isothiocyanatophenyl-acetic acid (NODAPA-(NCS)2) and 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-hydroxyphenyl-acetic acid (NODAPA-OH), versatile bifunctional chelators with potential for molecular imaging. Protein binding and exemplified conjugation are also reported.

Contrast Agents for Magnetic Resonance Imaging

The invention relates to contrast agents for magnetic resonance imaging comprising a chelating ligand and a transition metal ion, said ligand carrying a substituent capable of reacting chemically or biochemically with a target substance while bringing about a change in the spin state.

Convenient synthesis of mono- and ditosylated 1,4,7-triazacyclononane

Mono- and ditosylated 1,4,7-triazacyclononane (2, 3) were synthesized by rapid partial deprotection of 1,4,7-tritosyl-1,4,7-triazacyclononane (1) in vigorously stirred refluxing acetic acid-hydrobromic acid mixture.

The proton cryptate of hexaethylenetetramine

The next higher homologue of hexamethylenetetramine was synthesized as the proton cryptate H+α1 · Br- (shown schematically), and its X-ray structure determined. The proton trapped by the lone pairs accumulated at the center of the T-