2-(((3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol

Manufacturer: Hangzhou Royalchem Co.,LTD.

Website:   www.cnroyalchem.com

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

Here is a detailed product description for the compound with CAS 376608-74-1, 2-(((3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol:

1. Chemical Identity:  *  CAS Registry Number:  376608-74-1 *  IUPAC Name:  2-(((3aR,4S,6R,6aS)-6-((5-Amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol *  Synonyms:  Not widely established; typically referred to by its systematic name or CAS number. May appear in literature as a synthetic intermediate. *  Molecular Formula:  C₁₉H₃₀ClN₅O₄S *  Molecular Weight:  459.99 g/mol *  Structure:  A complex molecule consisting of three main parts: 1.  Modified Pyrimidine Base:  5-Amino-6-chloro-2-(propylthio)pyrimidin-4-amine. 2.  Protected Cyclopentyl "Sugar" Analog:  A (3aR,4S,6R,6aS)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxole ring system. This is a ketal-protected form of a cyclopentanol derivative, commonly used as a surrogate for the ribose sugar in nucleoside analog synthesis. 3.  Ethanolamine Linker:  A 2-hydroxyethyl ether chain (-O-CH₂-CH₂-OH) attached to the 4-position of the protected cyclopentane ring. *  Stereochemistry:  Defined stereocenters at positions 3aR, 4S, 6R, 6aS. This specific enantiomeric form is crucial for potential biological activity and indicates it's a single stereoisomer.

2. Physical Description:  *  Appearance:  Likely a white to off-white solid powder or crystalline solid (exact form depends on purification and isolation). *  Solubility:  Expected to have limited solubility in water. Likely soluble in common organic solvents such as dimethyl sulfoxide (DMSO), dimethylformamide (DMF), dichloromethane (DCM), chloroform, methanol, ethanol, and ethyl acetate. Solubility should be experimentally determined for specific applications. *  Melting Point:  Specific melting point data is not readily available but would be characteristic of the compound (typically determined experimentally). *  Spectroscopic Data:  Characterized by NMR (¹H, ¹³C), LC-MS (or HRMS), and IR spectroscopy for identity and purity confirmation.

3. Key Functional Groups & Features:  * Primary Amino group (-NH₂) on the pyrimidine ring. * Chloro substituent (-Cl) on the pyrimidine ring. * Propylthioether (-S-CH₂-CH₂-CH₃) on the pyrimidine ring. * Secondary Amino group linking the base to the "sugar" (-NH-). * Acetonide protecting group (2,2-dimethyl-1,3-dioxolane) on the cyclopentane ring. * Ether linkage (-O-) connecting the cyclopentane to the linker. * Primary Hydroxyl group (-CH₂-OH) on the ethanolamine linker. * Multiple chiral centers with defined stereochemistry.

4 . Storage & Handling:  *  Storage Conditions:  Store at  -20°C or below , desiccated (under inert atmosphere like argon or nitrogen if possible), and protected from light. Low temperatures minimize degradation; desiccation prevents hydrolysis, especially of the acetonide protecting group; protection from light prevents photodegradation. *  Stability:  Considered stable under recommended storage conditions for months to years. Sensitive to moisture, strong acids, strong bases, oxidizing agents, and elevated temperatures. The acetonide group is susceptible to acid-catalyzed deprotection. The chloro group and thioether may be reactive sites. *  Handling:  Handle in a well-ventilated fume hood using appropriate personal protective equipment (PPE) including lab coat, safety glasses, and nitrile gloves. Avoid inhalation of dust and contact with skin or eyes. Assess hazards using a Safety Data Sheet (SDS) specific to the batch/lot.

5 . Applications & Use:  *  Primary Use:   Advanced Synthetic Intermediate.  This compound is a highly specialized building block primarily used in medicinal chemistry research and pharmaceutical development. *  Target Application:  Synthesis of  novel nucleoside or nucleotide analogs , particularly those based on a  carbocyclic scaffold  (cyclopentane ring mimicking the sugar). The ethanol linker suggests potential for prodrug strategies or conjugation (e.g., to phosphates, lipids, or targeting moieties). *  Therapeutic Area:  Nucleoside analogs are explored for various diseases, most notably  antiviral therapies  (e.g., against hepatitis, HIV, herpesviruses, emerging viruses) and  anticancer agents . The presence of the chloro and propylthio groups suggests potential activity modulation targeting specific viral polymerases or cellular kinases. *  Stage:  Predominantly used in pre-clinical research (lead optimization, structure-activity relationship studies) or as a precursor in the synthesis of more complex drug candidates or prodrugs. It is  NOT  a final active pharmaceutical ingredient (API).

6 . Safety & Regulatory:  *  Classification:  Hazard classification is compound-specific. Likely hazardous due to potential acute toxicity (oral, dermal, inhalation), skin/eye irritation, and specific target organ toxicity. Requires thorough hazard assessment. *  Safety Data Sheet (SDS):  A detailed SDS  must  be obtained from the supplier for safe handling, storage, disposal, and emergency response information. *  Regulatory Status:  For research use only (RUO). Not intended for diagnostic or therapeutic use in humans or animals. Subject to standard chemical safety regulations (e.g., OSHA, REACH, GHS).