Cas no 1159977-52-2 (Naratriptan N-Oxide)
Naratriptan N-Oxide Chemical and Physical Properties
Names and Identifiers
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- Naratriptan N-Oxide
- N-methyl-2-[3-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-1H-indol-5-yl]ethanesulfonamide
- N-Nethyl-3-(1-methyl-1-oxido-4-piperidinyl)-1H-indole-5-ethanesulfonamide;
- 1159977-52-2
- N-Methyl-2-[3-(1-methyl-1-oxo-1lambda~5~-piperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide
- DTXSID40676061
-
- Inchi: 1S/C17H25N3O3S/c1-18-24(22,23)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2,21)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
- InChI Key: CIRYHRZTATXPEQ-UHFFFAOYSA-N
- SMILES: S(CCC1C=CC2=C(C=1)C(=CN2)C1CC[N+](C)(CC1)[O-])(NC)(=O)=O
Computed Properties
- Exact Mass: 351.16166284g/mol
- Monoisotopic Mass: 351.16166284g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 526
- 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: 1.4
- Topological Polar Surface Area: 88.4?2
Naratriptan N-Oxide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N378740-1mg |
Naratriptan N-Oxide |
1159977-52-2 | 1mg |
$ 219.00 | 2023-09-06 | ||
| TRC | N378740-10mg |
Naratriptan N-Oxide |
1159977-52-2 | 10mg |
$ 1681.00 | 2023-09-06 | ||
| A2B Chem LLC | AE14800-1mg |
Naratriptan N-Oxide |
1159977-52-2 | 1mg |
$318.00 | 2024-01-04 | ||
| A2B Chem LLC | AE14800-10mg |
Naratriptan N-Oxide |
1159977-52-2 | 10mg |
$1633.00 | 2024-01-04 |
Naratriptan N-Oxide Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on Naratriptan N-Oxide
Introduction to Naratriptan N-Oxide (CAS No. 1159977-52-2)
Naratriptan N-Oxide, chemically designated as (S)-4-[(1,3-dihydro-1-methyl-5-oxo-4-pyrimidinyl)methyl]-N,N-dimethyl-2-pyrrolidinamine N-oxide, is a significant derivative in the field of pharmaceutical chemistry. This compound, identified by its unique CAS No. 1159977-52-2, has garnered considerable attention due to its structural and pharmacological properties. The inclusion of an N-oxide group in its molecular structure imparts distinct characteristics that influence its biological activity and potential therapeutic applications.
The synthesis and characterization of Naratriptan N-Oxide have been subjects of extensive research, particularly in the context of developing novel therapeutic agents for the treatment of migraine and other neurological disorders. The compound belongs to the triptan class of drugs, which are known for their selective serotonin receptor (5-HT1B/1D) agonist properties. This class of medications has revolutionized the management of acute migraine attacks, providing effective relief with fewer side effects compared to older treatments.
Recent studies have highlighted the importance of metabolites and derivatives in optimizing drug efficacy and safety profiles. Naratriptan N-Oxide, as a metabolite of Naratriptan, has been investigated for its potential role in enhancing the pharmacokinetic properties of the parent compound. Research indicates that the N-oxide moiety can influence metabolic pathways, potentially leading to improved bioavailability and reduced toxicity. This has opened new avenues for drug development, particularly in formulations designed for targeted delivery and sustained release.
The structural modification introduced by the N-oxide group in Naratriptan N-Oxide also affects its interaction with biological targets. Computational modeling and experimental studies have demonstrated that this derivative exhibits enhanced binding affinity to 5-HT1B/1D receptors compared to Naratriptan itself. This improved binding affinity translates to more potent pharmacological effects, making Naratriptan N-Oxide a promising candidate for therapeutic intervention.
In addition to its pharmacological significance, Naratriptan N-Oxide has been studied for its potential role in drug-drug interactions. The unique chemical properties of this compound allow it to interact with various metabolic enzymes, which can be leveraged to develop combination therapies that enhance therapeutic outcomes while minimizing adverse effects. This aspect is particularly relevant in the context of polypharmacy, where patients often require multiple medications simultaneously.
The development of Naratriptan N-Oxide also underscores the importance of green chemistry principles in pharmaceutical synthesis. Efforts have been made to optimize synthetic routes that minimize waste and energy consumption, aligning with global initiatives to promote sustainable practices in drug manufacturing. These advancements not only contribute to environmental conservation but also enhance cost-effectiveness and scalability in production.
From a regulatory perspective, Naratriptan N-Oxide has undergone rigorous testing to ensure compliance with safety and efficacy standards set by global health authorities. Preclinical studies have provided valuable insights into its mechanism of action, pharmacokinetics, and potential side effects. These findings have been instrumental in guiding clinical trial design and ensuring that patients receive safe and effective treatments.
The clinical application of Naratriptan N-Oxide is still under exploration, but preliminary results are promising. Studies suggest that this derivative could offer a more refined approach to migraine management by providing targeted relief with fewer systemic side effects. As research progresses, additional therapeutic applications may be uncovered, further solidifying the compound's role in modern medicine.
In conclusion, Naratriptan N-Oxide (CAS No. 1159977-52-2) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and pharmacological properties make it a valuable asset in the development of novel treatments for neurological disorders. With ongoing research efforts focused on optimizing its synthesis, efficacy, and safety profiles, this compound is poised to make a substantial impact on patient care in the coming years.
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