Description

1H-Indole-1-Carboxylic Acid, 2-Borono-5-[[[3-(Dimethylamino)-2,2-Dimethylpropyl]Amino]Methyl]-, 1-(1,1-Dimethylethyl) Ester is a sophisticated boronic acid ester derivative of indole, designed for advanced synthetic applications. This compound is a high-value pharmaceutical intermediate and a key building block in medicinal chemistry, particularly for the development of protease inhibitors and other targeted therapeutics. It is essential for research and development teams in pharmaceutical, biotech, and fine chemical synthesis sectors requiring precise molecular scaffolds.

Application

• Pharmaceutical Intermediate: Critical building block in the synthesis of novel drug candidates, especially protease inhibitors and kinase inhibitors.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization for new therapeutic targets.
• Bioconjugation & Probe Development: The boronic acid ester functionality enables its use in creating molecular probes and diagnostic agents.
• Organic Synthesis: Serves as a versatile precursor for Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to construct complex heterocyclic systems.
• Chemical Biology: Utilized in the development of activity-based probes (ABPs) to study enzyme function and inhibition.
• API Development: Intermediate in the multi-step synthesis of Active Pharmaceutical Ingredients (APIs) for clinical trials and commercial production.

Basic Information

Product Name	1H-Indole-1-Carboxylic Acid, 2-Borono-5-[[[3-(Dimethylamino)-2,2-Dimethylpropyl]Amino]Methyl]-, 1-(1,1-Dimethyl) Ester
CAS No.	913388-72-4
Molecular Formula	C22H36BN3O4
Molecular Weight	417.36 g/mol
Synonyms	tert-Butyl 2-borono-5-((3-(dimethylamino)-2,2-dimethylpropylamino)methyl)-1H-indole-1-carboxylate; 1H-Indole-1-carboxylic acid, 2-borono-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-, 1,1-dimethylethyl ester; 2-Borono-5-((3-(dimethylamino)-2,2-dimethylpropylamino)methyl)-1H-indole-1-carboxylic acid tert-butyl ester; BOC-protected indole boronic acid ester; Protease inhibitor intermediate KMI-420; KMI 420; KMI-420.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and purity suitable for research and development. Quality is verified through comprehensive analytical techniques including HPLC, NMR, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming identity, purity, and impurity profiles. We support development under cGMP guidelines for pharmaceutical applications upon request.

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 should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain stability and purity. 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)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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