Cas no 1391052-04-2 (4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol)

4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol structure
1391052-04-2 structure
Product Name:4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol
CAS No:1391052-04-2
MF:C34H47NO7
MW:581.739490747452
CID:1004170
Update Time:2025-07-08

4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol Chemical and Physical Properties

Names and Identifiers

    • SalMeterol EP IMpurity D
    • 1-[4-[2-Hydroxy-2-[4-hydroxy-3-(hydroxyMethyl)phenyl]ethoxy]-3-(hydroxyMethyl)phenyl]-2-[[6-(3-phenylbutoxy)hexyl]aMino]ethanol
    • 4-O-[2-Hydroxy-2-[4-hydroxy-3-(hydroxyMethyl)phenyl]ethyl] SalMeterol
    • 4-[1-hydroxy-2-[2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenoxy]ethyl]-2-(hydroxymethyl)phenol
    • 4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol
    • Inchi: 1S/C34H47NO7/c36-23-29-20-28(13-15-31(29)38)33(40)25-42-34-16-14-27(21-30(34)24-37)32(39)22-35-17-7-1-2-8-18-41-19-9-6-12-26-10-4-3-5-11-26/h3-5,10-11,13-16,20-21,32-33,35-40H,1-2,6-9,12,17-19,22-25H2
    • InChI Key: ZHRQOSRFSAZSAM-UHFFFAOYSA-N
    • SMILES: O(CCCCC1C=CC=CC=1)CCCCCCNCC(C1C=CC(=C(CO)C=1)OCC(C1C=CC(=C(CO)C=1)O)O)O

Computed Properties

  • Exact Mass: 581.33500

Experimental Properties

  • PSA: 131.64000
  • LogP: 5.10300

4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol Pricemore >>

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4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol Related Literature

Additional information on 4-O-2-Hydroxy-2-4-hydroxy-3-(hydroxymethyl)phenylethyl Salmeterol

4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol: A Comprehensive Overview

4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol is a compound with the CAS registry number 1391052-04-2, representing a significant advancement in the field of pharmaceutical chemistry. This compound is a derivative of salmeterol, a well-known long-acting β?-adrenergic receptor agonist, which is widely used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). The structural modifications introduced in this compound aim to enhance its pharmacokinetic properties, bioavailability, and therapeutic efficacy while minimizing potential side effects.

The molecular structure of 4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol incorporates several key functional groups that contribute to its unique pharmacological profile. The presence of hydroxyl (-OH) and hydroxymethyl (-CH?OH) groups introduces hydrophilic characteristics, which may influence the compound's solubility and absorption properties. Additionally, the phenylethyl group serves as a critical structural element, potentially enhancing the molecule's ability to interact with β?-adrenergic receptors. Recent studies have highlighted the importance of such structural modifications in improving receptor binding affinity and selectivity, thereby optimizing therapeutic outcomes.

Recent research has focused on the in vitro and in vivo evaluation of 4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol, with particular emphasis on its pharmacokinetics and pharmacodynamics. Preclinical studies have demonstrated that this compound exhibits enhanced lung deposition efficiency compared to conventional salmeterol formulations, suggesting potential improvements in therapeutic efficacy. Furthermore, studies on its metabolic pathways have revealed that the hydroxylated groups may facilitate hepatic clearance, reducing systemic exposure and minimizing adverse effects associated with long-term use.

The development of 4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol represents a strategic approach to address some of the limitations associated with existing β?-adrenergic receptor agonists. For instance, traditional salmeterol formulations are often associated with issues such as rapid systemic absorption and potential cardiovascular side effects. By modifying the molecular structure to include hydrophilic groups, researchers aim to achieve a more localized effect within the respiratory system, thereby enhancing safety profiles while maintaining therapeutic efficacy.

From an industrial perspective, the synthesis of 4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol involves a multi-step chemical process that requires precise control over reaction conditions to ensure optimal yields and product quality. The incorporation of hydroxyl and hydroxymethyl groups necessitates the use of advanced synthetic techniques, including nucleophilic substitution and oxidation reactions. Recent advancements in catalytic processes have further streamlined these steps, making large-scale production more feasible and cost-effective.

In terms of regulatory considerations, 4-O-2-Hydroxy-2-4-Hydroxy-3-(Hydroxymethyl)Phenylethyl Salmeterol must undergo rigorous testing to meet global pharmaceutical standards. This includes extensive preclinical trials to assess safety profiles, as well as clinical trials to evaluate efficacy in human subjects. Regulatory bodies such as the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) require comprehensive data on pharmacokinetics, toxicity, and long-term safety before granting approval for commercial use.

Looking ahead, the potential applications of 4-O-2-Hydroxy

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