99590-87-1

Basic information

• Product Name: EGTA ethyl ester
• Synonyms: EGTA ethyl ester
• CAS NO: 99590-87-1
• Molecular Formula: C22H40N2O10
• Molecular Weight: 492.5604
• Mol File: 99590-87-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 533.3°Cat760mmHg
• Flash Point: 276.3°C
• Appearance: /
• Density: 1.137g/cm³
• Vapor Pressure: 1.88E-11mmHg at 25°C
• Refractive Index: 1.475
• CAS DataBase Reference: EGTA ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: EGTA ethyl ester(99590-87-1)
• EPA Substance Registry System: EGTA ethyl ester(99590-87-1)

Safety Data

• Hazardous Substances Data: 99590-87-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C22H40N2O10/c1-5-31-19(25)15-23(16-20(26)32-6-2)9-11-29-13-14-30-12-10-24(17-21(27)33-7-3)18-22(28)34-8-4/h5-18H2,1-4H3

Upstream product

• 67-42-5 ethylene glycol-bis(2-aminoethyl)-N,N,N'N,'-tetraacetic acid 
• 64-17-5 ethanol 

Relevant articles and documents

Getting a lead on Pb2+-amide chelators for 203/212Pb radiopharmaceuticals

Amide-based chelators DTPAm, EGTAm and ampam were synthesized to investigate which chelator most ideally coordinates [nat/203Pb]Pb2+ ions for potential radiopharmaceutical applications. 1H NMR spectroscopy was used to study each metal-ligand complex in the solution state. The 1H NMR spectrum of [Pb(DTPAm)]2+ revealed minimal isomerization and fluxional behaviour compared to [Pb(EGTAm)]2+ and [Pb(ampam)]2+, both of which showed fewer spectral changes indicative of less static behaviour. The solid-state coordination properties of each complex were also examined from single crystal structures that were studied by X-ray diffraction (XRD). In the solid-state, octadentate DTPAm coordinated Pb2+ to form an eight-coordinate hemidirected complex; octadentate EGTAm coordinated Pb2+ forming a ten-coordinate holodirected complex with a bidentate NO3- ion also coordinated to the metal centre; decadentate ampam completely encapsulated the Pb2+ ion to form a ten-coordinate holodirected complex with a C2 axis of symmetry. Potentiometric titrations were carried out to assess the thermodynamic stability of each metal-ligand complex. The pM values obtained for [Pb(DTPAm)]2+, [Pb(EGTAm)]2+ and [Pb(ampam)]2+ were 9.7, 7.2 and 10.2, respectively. The affinity of each chelator for Pb2+ ions was tested by [203Pb]Pb2+ radiolabeling studies to evaluate their prospects as chelators for [203/212Pb]Pb2+-based radiopharmaceuticals. DTPAm radiolabeled [203Pb]Pb2+ ions achieving molar activities as high as 3.5 MBq μmol-1 within 15 minutes, at 25 °C, whereas EGTAm and ampam produced lower molar activities of 0.25 MBq μmol-1 within 30 minutes, at 37 °C. EGTAm and ampam were therefore deemed unsuitable for [203/212Pb]Pb2+-based radiopharmaceutical applications, while DTPAm warrants further studies.