Cas no 441796-13-0 (N-Despropyl-N-ethyl Macitentan)

N-Despropyl-N-ethyl Macitentan is a metabolite of Macitentan, an endothelin receptor antagonist used in the treatment of pulmonary arterial hypertension (PAH). This compound retains pharmacological activity, contributing to the overall therapeutic effect of Macitentan by selectively blocking endothelin receptors (ETA and ETB). Its structural modification enhances metabolic stability and prolongs receptor binding, improving efficacy. As an active metabolite, it plays a significant role in the drug's pharmacokinetic profile, offering sustained inhibition of endothelin-mediated vasoconstriction and fibrosis. Its characterization is essential for understanding Macitentan's mechanism of action and optimizing PAH treatment regimens. Analytical standards of this metabolite are valuable for pharmacokinetic studies and drug monitoring.
N-Despropyl-N-ethyl Macitentan structure
441796-13-0 structure
Product Name:N-Despropyl-N-ethyl Macitentan
CAS No:441796-13-0
MF:C18H18Br2N6O4S
MW:574.24632024765
CID:4554711
PubChem ID:71462322
Update Time:2025-11-02

N-Despropyl-N-ethyl Macitentan Chemical and Physical Properties

Names and Identifiers

    • Macitentan impurity D
    • Macitentan impurity B
    • Macitentan N-Despropyl-N-Ethyl Impurity
    • Sulfamide, N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-ethyl-
    • Macitentan N-Despropyl-N-Ethyl Impurity/ Macitentan N-Ethyl Analog
    • 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(ethylsulfamoyl)pyrimidin-4-amine
    • Macitentan Impurity 04
    • N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N′-ethylsulfamide (ACI)
    • N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-ethylsulfamide
    • 441796-13-0
    • G79571
    • BDBM50395627
    • SCHEMBL17582648
    • N-Despropyl-N-ethyl Macitentan
    • CHEMBL2165338
    • MDL: M193426
    • Inchi: 1S/C18H18Br2N6O4S/c1-2-25-31(27,28)26-16-15(12-3-5-13(19)6-4-12)17(24-11-23-16)29-7-8-30-18-21-9-14(20)10-22-18/h3-6,9-11,25H,2,7-8H2,1H3,(H,23,24,26)
    • InChI Key: PIJUSICWAKBTEZ-UHFFFAOYSA-N
    • SMILES: O=S(NCC)(NC1C(C2C=CC(Br)=CC=2)=C(OCCOC2N=CC(Br)=CN=2)N=CN=1)=O

Computed Properties

  • Exact Mass: 573.94565g/mol
  • Monoisotopic Mass: 571.94770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 10
  • Complexity: 627
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 137?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.7±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 686.7±65.0 °C at 760 mmHg
  • Flash Point: 369.1±34.3 °C
  • pka: 6.90±0.50(Predicted)

N-Despropyl-N-ethyl Macitentan Pricemore >>

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Additional information on N-Despropyl-N-ethyl Macitentan

N-Despropyl-N-ethyl Macitentan (CAS No. 441796-13-0): A Comprehensive Overview

N-Despropyl-N-ethyl Macitentan (CAS No. 441796-13-0) is a specialized metabolite of Macitentan, a well-known endothelin receptor antagonist. This compound has garnered significant attention in pharmaceutical research due to its potential therapeutic applications. As a derivative of Macitentan, it plays a crucial role in understanding the pharmacokinetics and metabolism of the parent drug. Researchers and pharmaceutical companies are increasingly interested in N-Despropyl-N-ethyl Macitentan for its unique properties and implications in drug development.

The chemical structure of N-Despropyl-N-ethyl Macitentan features modifications that differentiate it from Macitentan. These alterations influence its binding affinity and metabolic stability, making it a subject of interest for scientists exploring endothelin receptor antagonists. The compound's CAS number, 441796-13-0, serves as a unique identifier in chemical databases, ensuring accurate referencing in academic and industrial research.

One of the most frequently searched questions related to N-Despropyl-N-ethyl Macitentan is its role in pulmonary arterial hypertension (PAH) treatment. Given the rising prevalence of PAH globally, understanding the metabolites of Macitentan, such as N-Despropyl-N-ethyl Macitentan, is critical for optimizing therapeutic regimens. Researchers are investigating whether this metabolite contributes to the efficacy or side effects of Macitentan, a topic that has sparked numerous discussions in medical forums and publications.

Another hot topic in the context of N-Despropyl-N-ethyl Macitentan is its pharmacokinetic profile. Scientists are keen to determine how this metabolite is absorbed, distributed, metabolized, and excreted in the body. Such studies are essential for drug safety assessments and for designing personalized medicine approaches. The compound's stability under various physiological conditions is also a key area of investigation, particularly in the development of novel drug formulations.

In addition to its pharmacological significance, N-Despropyl-N-ethyl Macitentan is also relevant in the field of analytical chemistry. Advanced techniques like liquid chromatography-mass spectrometry (LC-MS) are employed to detect and quantify this metabolite in biological samples. These methods are crucial for clinical trials and therapeutic drug monitoring, ensuring that patients receive optimal doses of Macitentan and its metabolites.

The synthesis and characterization of N-Despropyl-N-ethyl Macitentan are also areas of active research. Chemists are exploring efficient synthetic routes to produce this compound in high purity for use in reference standards and bioanalytical studies. The demand for high-quality N-Despropyl-N-ethyl Macitentan standards is growing, particularly in pharmaceutical quality control laboratories.

From a regulatory perspective, N-Despropyl-N-ethyl Macitentan is subject to stringent guidelines to ensure its safe use in research and development. Regulatory agencies require comprehensive data on its toxicological profile and environmental impact before it can be widely utilized. Compliance with these regulations is paramount for pharmaceutical companies aiming to incorporate this metabolite into their drug development pipelines.

Looking ahead, the future of N-Despropyl-N-ethyl Macitentan research appears promising. With advancements in biotechnology and drug discovery, this compound could unlock new therapeutic possibilities. Its role in precision medicine and targeted therapies is particularly exciting, offering hope for patients with conditions like PAH and other cardiovascular diseases.

In summary, N-Despropyl-N-ethyl Macitentan (CAS No. 441796-13-0) is a compound of significant scientific and medical interest. Its unique properties, coupled with its relevance to Macitentan metabolism, make it a valuable subject for ongoing and future research. As the pharmaceutical industry continues to evolve, N-Despropyl-N-ethyl Macitentan will undoubtedly remain a key player in the quest for innovative and effective treatments.

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