Description

(3S,4S)-Tofacitinib CAS NO 1092578-47-6 is a specific stereoisomer of the Janus kinase (JAK) inhibitor tofacitinib, distinguished by its defined (3S,4S) configuration. This high-purity enantiomer is critical for advanced pharmaceutical research and development, particularly in the study of structure-activity relationships and the development of novel therapeutic agents targeting inflammatory and autoimmune pathways. It is an essential building block and reference standard for pharmaceutical companies, contract research organizations (CROs), and academic institutions engaged in cutting-edge drug discovery programs.

Application

• Pharmaceutical Reference Standard: Serves as a certified reference material (CRM) for analytical method development, validation, and quality control of tofacitinib-based drug products.
• Active Pharmaceutical Ingredient (API) Intermediate: Used in the sophisticated synthesis of enantiomerically pure JAK inhibitor drug candidates.
• Mechanistic & Biochemical Research: Employed in in vitro and in vivo studies to investigate the specific biological activity and pharmacokinetic profile of the (3S,4S) enantiomer.
• Process Chemistry & Optimization: Acts as a key intermediate for developing and scaling up stereoselective synthetic routes in process R&D.
• Impurity Profiling: Utilized as a critical marker for identifying and quantifying stereoisomeric impurities in tofacitinib batches.
• Regulatory Submissions: Provides essential data and material for regulatory filings (e.g., FDA, EMA) requiring detailed characterization of drug substance stereochemistry.

Basic Information

Product Name	(3S,4S)-Tofacitinib
CAS No.	1092578-47-6
Molecular Formula	C16H20N6O
Molecular Weight	312.37 g/mol
Synonyms	(3S,4S)-Tofacitinib; (3S,4S)-CP-690550; (3S,4S)-Xeljanz; (3S,4S)-3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; (3S,4S)-Enantiomer of Tofacitinib; Tofacitinib (3S,4S)-isomer; (3S,4S)-Form of Tofacitinib
EINECS	Contact for details

Quality Control

Every batch of (3S,4S)-Tofacitinib is manufactured and tested under strict quality management systems. We provide comprehensive analytical data to ensure identity, purity, and strength, meeting the stringent requirements for pharmaceutical research materials. A detailed Certificate of Analysis (COA) is supplied with each shipment, documenting critical parameters including chiral purity, assay, and impurity profile. Our quality commitment aligns with cGMP principles for API intermediates and reference standards.

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 dry conditions to maintain stability and purity. For long-term storage, consider desiccants or inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
Assay (HPLC)	≥98.0%
Chiral Purity (Chiral HPLC)	≥99.0%
Related Substances (HPLC)	Total impurities ≤2.0% Any single unknown impurity ≤0.5%
Residual Solvents (GC)	Complies with ICH Q3C
Water Content (KF)	≤0.5%
Heavy Metals	≤20 ppm

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