Description

(3Ar,4R,7S,7As)-2-{(1R,2R)-2-[4-(1,2-Benzisothiazol-3-Yl)Piperazin-1-Ylmethyl]Cyclohexylmethyl}Hexahydro-4,7-Methano-2H-Isoindole-1,3-Dione Hydrochloride is a high-purity, complex chiral organic compound supplied as a hydrochloride salt, designed for advanced research and development. This compound is critical for pharmaceutical and agrochemical innovators seeking to explore novel bioactive molecules with specific stereochemistry. It is primarily utilized by medicinal chemists and process development scientists in the life sciences sector for hit-to-lead optimization and as a key synthetic intermediate.

Application

• Pharmaceutical Intermediate: Serves as a sophisticated building block in the synthesis of potential new chemical entities (NCEs) for central nervous system (CNS) and other therapeutic targets.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to optimize the potency and selectivity of drug candidates, leveraging its complex, constrained molecular architecture.
• Process Chemistry Development: Acts as a reference standard or a starting material for scaling up synthetic routes under Good Manufacturing Practice (GMP) conditions.
• Agrochemical Research: Investigated as a precursor for novel active ingredients in crop protection, given the benzisothiazole and piperazine motifs known for biological activity.
• Biochemical Tool Compound: Employed in vitro and in vivo to probe specific biological pathways and validate novel targets in preclinical studies.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects requiring high stereochemical purity.

Basic Information

Product Name	(3Ar,4R,7S,7As)-2-{(1R,2R)-2-[4-(1,2-Benzisothiazol-3-Yl)Piperazin-1-Ylmethyl]Cyclohexylmethyl}Hexahydro-4,7-Methano-2H-Isoindole-1,3-Dione Hydrochloride
CAS No.	194861-74-0
Molecular Formula	C30H35ClN4O2S
Molecular Weight	551.14 g/mol
Synonyms	1,2-Benzisothiazol-3-yl-piperazine derivative; Hexahydro-4,7-methano-2H-isoindole-1,3-dione hydrochloride; (1R,2R)-2-((4-(1,2-Benzisothiazol-3-yl)piperazin-1-yl)methyl)cyclohexanemethanamine derivative; Chiral isoindoledione hydrochloride; CAS 194861-74-0; Benzisothiazole piperazine cyclohexylmethyl isoindoledione HCl
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and analyzed under strict quality management systems. We provide comprehensive analytical data to support your regulatory and development needs. Certificates of Analysis (COA) are supplied with each shipment, detailing purity, chiral purity, and impurity profiles as determined by HPLC, NMR, and mass spectrometry. Our quality commitment aligns with ICH guidelines for pharmaceutical development.

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 anhydrous conditions or a dry inert atmosphere to maintain stability and purity. Keep the container tightly sealed when not in use.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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