CAS 81677-64-7

N,N′-[(1S)-1-[[4-[(2-Bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]

Description:

N,N′-[(1S)-1-[[4-[(2-Bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine], commonly referred to by its CAS number 81677-64-7, is a complex organic compound characterized by its dual functionality as a chelating agent and a potential pharmaceutical intermediate. This substance features a bis-glycine structure, which enhances its ability to form stable complexes with metal ions, making it useful in various biochemical applications. The presence of a bromoacetyl group suggests reactivity that can be exploited in further synthetic transformations. Additionally, the carboxymethyl groups contribute to its solubility in aqueous environments, which is advantageous for biological applications. The stereochemistry indicated by the (1S) configuration may influence its biological activity and interaction with target molecules. Overall, this compound's unique structural features position it as a valuable entity in medicinal chemistry and biochemistry, particularly in the development of targeted therapies or diagnostic agents.

Formula: C₁₉H₂₄BrN₃O₉

InChI: InChI=1S/C19H24BrN3O9/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)/t14-/m0/s1

InChI key: InChIKey=VOQPQBGCWBEYEV-AWEZNQCLSA-N

SMILES: [C@H](N(CC(O)=O)CC(O)=O)(CC1=CC=C(NC(CBr)=O)C=C1)CN(CC(O)=O)CC(O)=O

Synonyms:

• Glycine, N,N′-[(1S)-1-[[4-[(bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-
• N,N′-[(1S)-1-[[4-[(2-Bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]
• BABE
• Glycine, N,N′-[1-[[4-[(bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-, (S)-
• Glycine, N,N′-[(1S)-1-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-

(S)-1-[4-(Bromoacetamido)benzyl]ethylenediaminetetracetic acid

CAS: 81677-64-7

(S)-1-[4-(Bromoacetamido)benzyl]ethylenediaminetetracetic acid

Purity: ≥95%

Ref: 54-OR7900T

(S)-1-(p-Bromoacetamidobenzyl)ethylenediaminetetraacetic Acid (~80%)

Controlled Product

CAS: 81677-64-7

Applications A bifunctional iron chelating agent that has been employed to couple metal ions to biological molecules, including radiopharmaceutical synthesis and targeted protein hydrolysis. Bifunctional chelating reagents possess both a strong metal-binding moiety and a group that binds to a biological molecule.
References Greiner, D.P., et al.: Bioconjugate Chem., 8, 44 (1997)

Formula: C₁₉H₂₄BrN₃O₉

Purity: ~80%

Color and Shape: Neat

Molecular weight: 518.31

Ref: TR-B679000