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CAS 852331-49-8

:

[(2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidin-2-yl]boronic acid

Description:
The chemical substance known as [(2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidin-2-yl]boronic acid, with the CAS number 852331-49-8, is a boronic acid derivative characterized by its unique structural features. It contains a pyrrolidine ring, which contributes to its potential biological activity, and an adamantyl group that enhances its lipophilicity and may influence its interaction with biological targets. The presence of a hydroxy group on the adamantyl moiety suggests potential for hydrogen bonding, which can be crucial for binding interactions in biological systems. Boronic acids are known for their ability to form reversible covalent bonds with diols, making this compound potentially useful in medicinal chemistry, particularly in the development of inhibitors for various enzymes. The stereochemistry indicated by the (2R) configuration suggests specific spatial arrangements that may affect the compound's pharmacological properties. Overall, this compound's unique structure positions it as a candidate for further investigation in drug development and biochemical applications.
Formula:C16H27BN2O4
InChI:InChI=1/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
SMILES:C1C[C@@H](B(O)O)N(C1)C(=O)CNC12CC3CC(C1)CC(C3)(C2)O
Synonyms:
  • Vildagliptinboronic acid
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