Description

N-[(1S,2R)-1-[[[(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-triMethyl-4,6-Methano-1,3,2-benzodioxaborol-2-yl]-3-Methylbutyl]aMino]carbonyl]-2-hydroxypropyl]-6-phenyl-2-pyridinecarboxaMide is a sophisticated chiral organic compound featuring a complex boronate ester core, which is critical for its function as a highly selective intermediate or active pharmaceutical ingredient (API) in advanced synthesis. Its precise stereochemistry and functional groups make it invaluable for applications requiring targeted molecular recognition and catalytic activity. This compound is primarily utilized by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, particularly in areas like enzyme inhibition and boron neutron capture therapy (BNCT).

Application

• Pharmaceutical Intermediate: Serves as a key chiral building block in the multi-step synthesis of complex drug candidates, especially those targeting proteases or kinases.
• Boron Neutron Capture Therapy (BNCT) Research: Investigated as a potential boron delivery agent due to its boronate ester moiety, which can concentrate 10B isotopes at tumor sites.
• Asymmetric Catalysis: Used as a ligand or precursor for catalysts in stereoselective organic transformations, leveraging its defined chiral centers.
• Biochemical Research: Acts as a tool compound or probe for studying enzyme mechanisms and protein-ligand interactions in medicinal chemistry.
• Advanced Material Synthesis: Potential precursor for creating functionalized polymers or supramolecular structures with specific binding properties.

Basic Information

Item	Details
Product Name	N-[(1S,2R)-1-[[[(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-triMethyl-4,6-Methano-1,3,2-benzodioxaborol-2-yl]-3-Methylbutyl]aMino]carbonyl]-2-hydroxypropyl]-6-phenyl-2-pyridinecarboxaMide
CAS No.	847494-64-8
Molecular Formula	C31H44BN3O5
Molecular Weight	549.51 g/mol
Synonyms	(1S,2R)-N-(1-(((R)-1-((3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-3-methylbutyl)carbamoyl)-2-hydroxypropyl)-6-phenylpicolinamide; Pinanediol Ester of a Complex Boronic Acid Amide; Chiral Boronate Ester Intermediate; Advanced Boron-Containing API Intermediate
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency for critical research and development. Each lot is characterized using advanced analytical techniques including HPLC, chiral analysis, NMR, and mass spectrometry to confirm identity, purity, and enantiomeric excess. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your regulatory and quality documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and must be handled under an inert atmosphere (e.g., nitrogen or argon) when opening the primary container to prevent degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Purity (Chiral HPLC)	≥ 99.0% e.e.
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.