(1S,2S,3R,5S)-3-((3-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

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 】

Product Name:  (1S,2S,3R,5S)-3-((3-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CAS Number:  1788033-05-5

Chemical Structure

A highly complex, stereochemically defined small molecule featuring:

Cyclopentane backbone  with stereocenters at positions 1S, 2S, 3R, and 5S.

Substituents: Three hydroxyl groups (1,2-diol; 5-hydroxyl) and a 2-hydroxyethoxy group at position 5.

Triazolo[4,5-d]pyrimidine core :

3-position: (1R,2S)-configured cyclopropyl group linked to a 3,4-difluorophenyl ring.

5-position: Propylthio (-S-CH2CH2CH3) group.

7-position: Amino group connected to the cyclopentane backbone.

Key Features

Stereochemical Complexity : Multiple chiral centers and rigid structural motifs (cyclopropane, triazolopyrimidine) suggest optimized target binding and metabolic stability.

Functional Diversity : Combines polar hydroxyl/amino groups with lipophilic (difluorophenyl, propylthio) moieties, balancing solubility and membrane permeability.

Potential Pharmacophore : Triazolopyrimidine scaffolds are common in kinase inhibitors or nucleotide analogs, implying applications in oncology, virology, or immunology.

Applications

Research Use : Likely investigated as a therapeutic candidate (e.g., kinase inhibitor, antiviral agent).

Chemical Biology : Probe for studying enzyme mechanisms or cellular pathways.

Custom Synthesis : Available for structure-activity relationship (SAR) studies or lead optimization.

Physicochemical Properties

Molecular Weight : Estimated ~650-700 g/mol (exact mass requires calculation).

Solubility : Moderate in DMSO or methanol; limited in aqueous buffers (hydrophilic groups may enhance solubility at acidic pH).

logP : Predicted ~3-4 (balanced hydrophilicity/lipophilicity).

Storage & Handling

Storage : -20°C under inert atmosphere (argon/nitrogen) to prevent oxidation or hydrolysis. 

Stability : Sensitive to light, moisture, and temperature fluctuations.

Handling : Use PPE (gloves, goggles) in a fume hood. Avoid inhalation or skin contact.

Safety Information

Hazard Statements : Not fully characterized. Assume acute toxicity (H302/H312/H315/H319/H335).

Precautionary Measures : Dispose of as hazardous waste. For research use only.