Description

[3S-(3R,4Ar,8Ar,2’S,3’S)]-2-[3’-n-T-Boc-Amino-2’-Hydroxy-4’-(Phenyl)Thio]Butyldecahydroisoquinoline-3-n-T-Butylcarboxamide is a sophisticated chiral building block and advanced pharmaceutical intermediate. This compound is critical for the synthesis of complex, biologically active molecules, offering precise stereochemical control. It is primarily needed by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, particularly in areas requiring high-purity, custom-synthesized intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the multi-step synthesis of potential drug candidates, especially for central nervous system (CNS) targets.
• Peptidomimetic Research: Used in the design and construction of peptidomimetics and constrained peptide analogs due to its decahydroisoquinoline scaffold.
• Medicinal Chemistry: Employed in structure-activity relationship (SAR) studies and lead optimization programs to introduce specific stereochemistry and functional groups.
• Process Chemistry Development: Acts as a critical intermediate for scaling up synthetic routes under current Good Manufacturing Practice (cGMP) conditions for clinical trial material production.
• Asymmetric Synthesis: Utilized as a substrate or template in catalytic asymmetric reactions to construct complex molecular architectures.
• Custom Synthesis & Contract Manufacturing: Supplied for bespoke synthesis projects requiring high chemical and optical purity for preclinical and early-phase clinical development.

Basic Information

Product Name	[3S-(3R,4Ar,8Ar,2’S,3’S)]-2-[3’-n-T-Boc-Amino-2’-Hydroxy-4’-(Phenyl)Thio]Butyldecahydroisoquinoline-3-n-T-Butylcarboxamide
CAS No.	1217629-57-6
Molecular Formula	C29H46N2O4S
Molecular Weight	518.76 g/mol
Synonyms	(3S,3aR,7aR)-2-[(2S,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-(phenylthio)butanoyl]-N-(tert-butyl)octahydro-1H-isoindole-3-carboxamide; tert-Butyl N-[(1S,2S)-1-[[(3S,3aR,7aR)-3-[(tert-butylcarbamoyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-2-yl]-oxomethyl]-2-hydroxy-3-(phenylthio)propyl]carbamate; Boc-Amino-Hydroxy-Phenylthio-Butyldecahydroisoquinoline-T-Butylcarboxamide; Advanced Chiral Isoindoline Intermediate; CAS 1217629-57-6.
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to stringent quality protocols. Each batch is characterized and tested using advanced analytical techniques including HPLC, chiral HPLC, NMR, and mass spectrometry to ensure chemical identity, stereochemical purity, and overall purity meet exacting customer specifications. Certificates of Analysis (COA) detailing all critical quality attributes are provided with every shipment. We support development under quality systems suitable for cGMP compliance for pharmaceutical applications.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as specified on the label or COA. This material is moisture-sensitive; keep the container tightly sealed in a dry environment. For long-term storage, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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