(1S,2S,3R,5S)-3-(7-hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol RC00249

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# 1445580-43-7,  (1S,2S,3R,5S)-3-(7-hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol :

1. Product Identification:  *  CAS Registry Number:  1445580-43-7 *  IUPAC Name:  (1S,2S,3R,5S)-3-(7-Hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol *  Synonyms:  Common synonyms aren't widely established. It may be referenced internally by research codes or structural descriptors like modified nucleoside analog, triazolopyrimidine derivative, or P2Y receptor ligand analog. *  Molecular Formula:  C₁₆H₂₃N₅O₅S (Calculated based on structure) *  Molecular Weight:  397.45 g/mol (Calculated)

2. Chemical Structure & Properties:  *  Core Structure:  Features a chiral cyclopentane ring (core structure similar to nucleosides) with three vicinal hydroxyl groups (diol at positions 1,2; hydroxyethoxy at position 5) and a complex heterocyclic substituent at position 3. *  Heterocyclic Moiety:  The substituent is a  7-hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine . This fused triazole-pyrimidine ring system incorporates key functionalities: * 7-Hydroxy group (-OH): Imparts acidity and potential for hydrogen bonding. * 5-(Propylthio) group (-S-CH₂-CH₂-CH₃): A thioether linkage with a propyl chain, influencing lipophilicity and potentially target interaction. *  Cyclopentane Modifications:  *  Stereochemistry:  Absolute stereochemistry defined as (1S,2S,3R,5S). This specific 3D arrangement is crucial for biological activity and distinguishes it from stereoisomers. *  1,2-Diol:  Vicinal diol functionality at positions 1 and 2. *  5-(2-Hydroxyethoxy):  An ethylene glycol chain (-O-CH₂-CH₂-OH) attached to position 5 of the cyclopentane. This hydrophilic group enhances solubility. *  Key Functional Groups:  Alcohols (multiple, including vicinal diol), Ether, Thioether, Triazole, Pyrimidone (or hydroxypyrimidine), potential for tautomerism in the heterocycle. *  Physical State:  Typically supplied as a solid (powder or crystalline). *  Solubility:  Expected to have limited solubility in non-polar solvents. Moderate solubility in polar aprotic solvents (e.g., DMSO, DMF). Solubility in water is likely low to moderate, potentially improved by the hydroxyethoxy group compared to analogs without it. The diol and multiple OH groups confer hydrophilicity, while the triazolopyrimidine core and propylthio group add lipophilicity. *  Stability:  Stability data is limited outside specific research contexts. Likely sensitive to strong acids, strong bases, and strong oxidizing agents. Photosensitivity should be assumed unless stated otherwise. Potential for autoxidation or hydrolysis over long periods. Store under inert atmosphere at controlled temperatures (-20°C or lower recommended for long-term storage).

3. Classification & Applications:  *  Chemical Class:  Modified Nucleoside Analog; Triazolopyrimidine Derivative; Cyclopentyl-triazolopyrimidine; Heterocyclic Compound; Chiral Molecule. *  Primary Application:   Research Chemical.  This compound is a  highly specialized synthetic intermediate  or a  pharmacological probe  used exclusively in scientific research and development. *  Research Focus:  Given its structural similarity to known P2Y receptor antagonists/inverse agonists (like Ticagrelor, Cangrelor, Elinogrel), its primary research applications are likely: *  Platelet Aggregation & Thrombosis Research:  Investigating the P2Y₁₂ receptor pathway in platelets. *  Medicinal Chemistry:  Used as a synthetic building block for creating novel analogs targeting adenosine receptors (A₂A) or P2Y receptors (P2Y₁₂, P2Y₁₃). Exploration of structure-activity relationships (SAR), particularly around the effects of the 5-(propylthio) and 5-(2-hydroxyethoxy) modifications on potency, selectivity, and pharmacokinetic properties compared to established drugs. *  Biochemistry:  Probing interactions with purinergic receptors and related cellular signaling pathways. *  Pharmacology:  Assessing antiplatelet activity, efficacy in thrombosis models, and pharmacokinetic profiles (ADME).

4 . Handling & Safety (General Precautions - Specific SDS REQUIRED):  *  Hazard Identification:  A Safety Data Sheet (SDS) specific to the supplier and batch MUST be consulted. Hazards are not fully characterized but general precautions for organic compounds apply: *  H319:  Causes serious eye irritation. *  H315:  Causes skin irritation. *  H335:  May cause respiratory irritation. *  H302/H312/H332:  Harmful if swallowed, in contact with skin, or if inhaled (potential based on structure/unknown toxicity). *  Precautionary Statements:  P261, P280, P305+P351+P338, P304+P340, P312, P337+P313. *  Personal Protective Equipment (PPE):  Essential to wear nitrile gloves, safety goggles, and a lab coat. Use adequate ventilation (fume hood) especially when handling powders. Respiratory protection may be required depending on the form and quantity. *  Storage:  Store in a tightly sealed container under an inert atmosphere (Argon, Nitrogen) in a freezer (-20°C or preferably -80°C for long-term stability). Protect from light and moisture. Keep away from heat and incompatible materials (strong acids, bases, oxidizers).