CAS 1104637-46-8

(T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-(1E)-1-propen-1-ylboron

Description:

The chemical substance known as "(T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-(1E)-1-propen-1-ylboron" with CAS number 1104637-46-8 is a complex organic compound featuring a boron atom coordinated to a propenyl group and a glycinato ligand. Its structure includes a carboxymethyl group, which contributes to its potential as a chelating agent. The presence of the boron atom suggests possible applications in medicinal chemistry, particularly in the development of boron-containing compounds for cancer therapy, as boron compounds can enhance the effectiveness of neutron capture therapy. The compound's functional groups, including the carboxylate and methyl groups, may influence its solubility, reactivity, and biological activity. Additionally, the specific stereochemistry indicated by the (1E) designation suggests a particular geometric configuration that could affect its interaction with biological targets. Overall, this compound exemplifies the intricate design of organoboron compounds, which are of significant interest in both synthetic and medicinal chemistry.

Formula: C₈H₁₂BNO₄

InChI: InChI=1/C8H12BNO4/c1-3-4-9-10(2,5-7(11)13-9)6-8(12)14-9/h3-4H,5-6H2,1-2H3

InChI key: InChIKey=RJZPYQUXHFJUAM-UHFFFAOYNA-N

SMILES: [CH-](=CC)[B+3]12[N](C)(CC(=O)[O-]1)CC(=O)[O-]2

Synonyms:

• trans-2-Propenylboronic acid pinacol ester
• (T-4)-[N-[(Carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-(1E)-1-propen-1-ylboron
• Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-(1E)-1-propen-1-yl-, (T-4)-