825625-07-8

Basic information

• Product Name: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ethyl ester
• Synonyms: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ethyl ester
• CAS NO: 825625-07-8
• Molecular Formula: C₃₀H₅₆N₄O₈
• Molecular Weight: 600.78764
• Mol File: 825625-07-8.mol
• Article Data: 15

Chemical Properties

• Melting Point: >140 °C (decomp)
• Boiling Point: 614.1±55.0 °C(Predicted)
• Appearance: /
• Density: 1.049±0.06 g/cm3(Predicted)
• PKA: 5.54±0.20(Predicted)
• CAS DataBase Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ethyl ester(825625-07-8)
• EPA Substance Registry System: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ethyl ester(825625-07-8)

Safety Data

• Hazardous Substances Data: 825625-07-8(Hazardous Substances Data)

Usage

Molecular Weight

465.66 g/mol

Appearance

Clear liquid

Boiling Point

High boiling point (specific value not provided)

Volatility

Low volatility

Stability

Stable compound

Solubility

Not specified, but generally soluble in organic solvents

Derivative of

Ethylenediaminetetraacetic acid (EDTA)

Function

Chelating agent

Applications

a. Pharmaceutical industry
b. Chemical research
c. Industrial processes

Uses

a. Binding and removing metal ions from solutions
b. Preparation of radiopharmaceuticals
c. Stabilizer in chemical reactions
d. Complexing agent in the synthesis of new materials

Potential Medical Applications

a. Contrast agent in magnetic resonance imaging (MRI)
b. Treatment for heavy metal poisoning

Structure

Consists of a cyclic structure with four nitrogen atoms, four acetic acid groups, and three tert-butyl groups attached to the ethyl ester functional group.

Upstream product

• 5292-43-3 bromoacetic acid tert-butyl ester 
• 468743-81-9 1-[1-(ethoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane 
• 105-36-2 ethyl bromoacetate 
• 122555-91-3 1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane 
• 294-90-6 1,4,7,10-tetraazacyclododecan 

Downstream Products

• 137076-54-1 1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid 
• 170908-81-3 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid mono(N-hydroxysuccinimidyl ester) 
• 819869-77-7 tri-tert-butyl 2,2’,2”-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 173308-18-4 tri-tert-butyl 2,2',2''-(10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 1618093-96-1 2,2',2''-(10-(2-((2-(4-(diphenylphosphino)benzamido)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid 

Relevant articles and documents

Lanthanide(III) complexes of DOTA-glycoconjugates: A potential new class of lectin-mediated medical imaging agents

The synthesis and characterization of a new class of DOTA (1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane) mono-amide-linked glycoconjugates (glucose, lactose and galactose) of different valencies (mono, di and tetra) and their SmIII, EuIII and GdIII complexes are reported. The 1HNMR spectrum of EuIII-DOTALac2 shows the predominance of a single structural isomer of square antiprismatic geometry of the DOTA chelating moiety and fast rotation about the amide bond connected to the targeting glycodendrimer. The in vitro relaxivity of the GdIII-glycoconjugates was studied by 1H nuclear magnetic relaxation dispersion (NMRD), yielding parameters close to those reported for other DOTA monoamides. The known recognition of sugars by lectins makes these glycoconjugates good candidates for medical imaging agents (MRI and gamma scintigraphy).

Photoresponsive host-guest chemistry and relaxation time of fluorinated cyclodextrin and T1=T* 2 arylazopyrazole-functionalized DOTA metal complexes

Light-responsive modulation of the longitudinal (T1) and transversal T *2) relaxation times of a fluorinated cyclodextrin has been achieved by host-guest complexation with arylazopyrazole-modified metal complexes in aqueous solution. This supramolecular concept can potentially be applied to the development of contrast agents for19F magnetic resonance imaging (MRI).

NOVEL GADOLINIUM-BASED COMPOUND, PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING INFLAMMATORY DISEASE COMPRISING THE SAME, AND MRI CONTRAST COMPOSITION

The gadolinium-based compound 1 is represented by the following formula. Chemical Formula 1. In Chemical Formula 1, RosA is a moiety derived from rosmarinic acid. The compounds according to the invention are compositions for treating or preventing inflamm

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