Description

(3S,4As,8As)-2-[(2R,3R)-3-[(3-Acetoxy-2-Methylbenzoyl)Amino]-4-Phenythiobutyl]-Decahydro-n-(2-Hydroxy-1,1-Dimethylethyl)-3-Isoquinolinecarboxamide is a complex, stereochemically defined organic compound of significant interest in advanced pharmaceutical research and development. This molecule matters as a sophisticated synthetic intermediate or potential pharmacophore, enabling the creation of novel therapeutic agents with high specificity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and biotechnology industries working on targeted drug discovery programs, particularly in areas requiring intricate molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the multi-step synthesis of novel active pharmaceutical ingredients (APIs), especially for complex target molecules.
• Drug Discovery Research: Used as a key scaffold or precursor in medicinal chemistry for screening and developing new drug candidates with potential biological activity.
• Process Chemistry Development: Employed in optimizing synthetic routes for scale-up, focusing on yield, purity, and stereochemical integrity.
• Biochemical Tool Compound: May be utilized in academic and industrial research as a probe to study specific enzyme interactions or biological pathways.
• Reference Standard: Acts as a high-purity analytical standard for quality control and method development in analytical laboratories.
• Custom Synthesis: A starting point for contract research organizations (CROs) and CDMOs offering bespoke chemical synthesis services for client-specific projects.

Basic Information

Product Name	(3S,4As,8As)-2-[(2R,3R)-3-[(3-Acetoxy-2-Methylbenzoyl)Amino]-4-Phenythiobutyl]-Decahydro-n-(2-Hydroxy-1,1-Dimethylethyl)-3-Isoquinolinecarboxamide
CAS No.	1217807-30-1
Molecular Formula	C35H47N3O5S
Molecular Weight	621.83 g/mol
Synonyms	Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-3-[(3-acetoxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide (3S,4aS,8aS)-isomer; UNII-9S6C2QFY29; 9S6C2QFY29; (3S,4aS,8aS)-2-[(2R,3R)-3-[(3-Acetoxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide; BDBM50164957; AKOS025147065; A-934102; A 934102.
EINECS	Contact for details

Quality Control

Our (3S,4As,8As)-2-[(2R,3R)-3-[(3-Acetoxy-2-Methylbenzoyl)Amino]-4-Phenythiobutyl]-Decahydro-n-(2-Hydroxy-1,1-Dimethylethyl)-3-Isoquinolinecarboxamide is produced under strict quality management systems. Each batch undergoes comprehensive analytical characterization to ensure identity, purity, and stereochemical integrity, typically employing techniques such as HPLC, NMR, and mass spectrometry. Certificates of Analysis (COA) detailing batch-specific results are available upon request. We support development and cGMP-grade production to meet the stringent requirements of pharmaceutical research and manufacturing.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature, typically between 15-25°C, in a dry environment. Keep the container sealed to protect from moisture. For long-term storage, consider inert atmosphere conditions to ensure optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Specific Rotation	Contact for details

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