Cas no 437717-43-6 (3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid)
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid
- 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Aci
- 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2 ,4]triazin-2-yl)benzenesulfonic acid
- 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid
- 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid
- VARDENAFIL ACID [USP IMPURITY]
- 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxybenzenesulfonic acid
- 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f]-1,2,4-triazin-2-yl)benzenesulphonic acid
- 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid? (Vardenafil Impurity
- SCHEMBL5767555
- BENZENESULFONIC ACID, 3-(1,4-DIHYDRO-5-METHYL-4-OXO-7-PROPYLIMIDAZO(5,1-F)(1,2,4)TRIAZIN-2-YL)-4-ETHOXY-
- A936189
- 437717-43-6
- DB-303674
- CS-0166273
- XTMCEBZOWCIYQF-UHFFFAOYSA-N
- DTXSID401036274
- VARDENAFIL HYDROCHLORIDE TRIHYDRATE IMPURITY B [EP IMPURITY]
- VARDENAFIL ACID
- 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid
- 4-ETHOXY-3-(5-METHYL-4-OXO-7-PROPYL-3,4-DIHYDROIMIDAZO(5,1-F)(1,2,4)TRIAZIN-2-YL)BENZENESULFONIC ACID
- NS00006833
-
- Inchi: 1S/C17H20N4O5S/c1-4-6-14-18-10(3)15-17(22)19-16(20-21(14)15)12-9-11(27(23,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,22)(H,23,24,25)
- InChI Key: XTMCEBZOWCIYQF-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=C(C=1)C1NC(C2=C(C)N=C(CCC)N2N=1)=O)OCC)(=O)(=O)O
Computed Properties
- Exact Mass: 392.11544092g/mol
- Monoisotopic Mass: 392.11544092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 692
- 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: 1.9
- Topological Polar Surface Area: 131?2
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D453410-100mg |
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 100mg |
$ 164.00 | 2023-09-07 | ||
| TRC | D453410-1g |
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 1g |
$ 822.00 | 2023-09-07 | ||
| TRC | D453410-2.5g |
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 2.5g |
$ 1633.00 | 2023-09-07 | ||
| A2B Chem LLC | AG25601-100mg |
3-(1,4-Dihydro-5-Methyl-4-oxo-7-propyliMidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 100mg |
$278.00 | 2024-04-20 | ||
| A2B Chem LLC | AG25601-1g |
3-(1,4-Dihydro-5-Methyl-4-oxo-7-propyliMidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 1g |
$908.00 | 2024-04-20 | ||
| A2B Chem LLC | AG25601-2.5g |
3-(1,4-Dihydro-5-Methyl-4-oxo-7-propyliMidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid |
437717-43-6 | 2.5g |
$1685.00 | 2024-04-20 |
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
Additional information on 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo5,1-f1,2,4triazin-2-yl)-4-ethoxybenzenesulfonic Acid
Introduction to 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid (CAS No. 437717-43-6)
3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid, identified by its CAS number 437717-43-6, is a sophisticated heterocyclic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the imidazo[5,1-f][1,2,4]triazine scaffold, a structural motif known for its broad spectrum of biological activities. The presence of multiple functional groups, including a sulfonic acid moiety and an ethoxy substituent, enhances its potential utility in drug design and development.
The imidazo[5,1-f][1,2,4]triazine core is a privileged structure in medicinal chemistry due to its ability to interact with various biological targets. Researchers have extensively explored derivatives of this scaffold for their antimicrobial, anti-inflammatory, and anticancer properties. The specific arrangement of nitrogen atoms and the fused ring system in 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid contributes to its unique chemical and pharmacological profile.
The sulfonic acid group at the 4-position of the benzenesulfonyl moiety is a critical feature that influences the compound's solubility and binding affinity. Sulfonates are frequently incorporated into drug molecules to improve pharmacokinetic properties such as water solubility and bioavailability. Additionally, the ethoxy group on the aromatic ring can modulate electronic properties and metabolic stability. These structural elements make this compound a promising candidate for further investigation in medicinal chemistry.
Recent advancements in computational chemistry have enabled more efficient screening of novel heterocyclic compounds like 3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxybenzenesulfonic Acid. Molecular docking studies have been employed to predict interactions with target proteins such as kinases and transcription factors. These virtual screening approaches have accelerated the discovery process by identifying potential lead compounds with high binding affinity.
In vitro studies have demonstrated that derivatives of the imidazo[5,1-f][1,2,4]triazine scaffold exhibit significant inhibitory effects on various enzymes implicated in cancer progression. For instance, certain analogs have shown potent activity against tyrosine kinases, which are key players in signal transduction pathways involved in cell proliferation and survival. The 3-(1,4-Dihydro-5-methyl-4-oxyo7-propylimidazo[51f][12;44-triazin22yl)-44ethoxybenzenesulfo nic Acid (CAS No. 43 77 17 -43 -6) may share similar inhibitory properties due to its structural similarity to these known bioactive compounds.
The propyl side chain at the 7-position of the triazine ring adds another layer of complexity to the compound's pharmacophore. This substituent can influence both steric hindrance and electronic distribution within the molecule. Such structural features are often fine-tuned during drug development to optimize potency and selectivity. The sulfonic acid group also contributes to hydrogen bonding capabilities with biological targets.
Pharmaceutical companies and academic institutions have been actively exploring novel heterocyclic scaffolds for their therapeutic potential. The imidazo[51f][12;44-triazine core has been particularly studied for its role in modulating immune responses and inhibiting inflammatory pathways. The sulfonate derivative mentioned here could serve as a valuable intermediate in synthesizing more complex molecules with enhanced pharmacological profiles.
The synthesis of 3-(14-Dihydro55-methyl44-oxyo7-propylimidazo51f12124-triazin22yl)-44ethoxybenzenesulfo nic Acid (CAS No. 43 77 17 -43 -6) involves multi-step organic transformations that require careful optimization to ensure high yield and purity. Advances in synthetic methodologies have made it possible to construct complex heterocyclic frameworks more efficiently than ever before. Techniques such as palladium-catalyzed cross-coupling reactions have been instrumental in forming carbon-carbon bonds within these intricate structures.
The ethoxy group on the aromatic ring not only affects electronic properties but also influences metabolic stability through interactions with cytochrome P450 enzymes. Understanding these interactions is crucial for predicting drug metabolism and potential side effects. Computational models can help predict how different substituents will impact metabolic pathways.
Recent clinical trials have highlighted the importance of sulfonamide derivatives in treating various diseases. While not directly related to this specific compound (CAS No. 43 77 17 -43 -6), these findings underscore the therapeutic relevance of sulfonic acid-containing molecules across multiple therapeutic areas including oncology and neurology.
The future directions for research on 3-(14-Dihydro55-methyl44-oxyo7-propylimidazo51f12124-triazin22yl)-44ethoxybenzenesulfo nic Acid (CAS No. 43 77 17 -43 -6) include exploring its potential as an antiviral agent or an immunomodulator. Given its structural similarities to known bioactive compounds from other classes such as quinolines or pyrimidines; this heterocyclic derivative may exhibit novel mechanisms of action when tested against relevant disease models.
In conclusion,3-(14-Dihydro55-methyl44-oxyo7-propylimidazo51f12124-triazin22yl)-44ethoxybenzenesulfo nic Acid (CAS No: 43;77;17;43;6) represents an intriguing molecule with significant pharmaceutical potential based on current research findings within medicinal chemistry literature it will continue being scrutinized both computationally; experimentally aiming toward new therapeutic applications while maintaining high standards regarding safety efficacy ensuring patient benefits remain paramount throughout development phases ensuring broader acceptance within medical communities worldwide enhancing overall healthcare outcomes through innovative approaches grounded solid scientific foundations ensuring continued progress toward better treatments options available patients everywhere thus contributing positively advancing human healthspan longevity future generations benefitting cumulative knowledge gained today ensuring sustainable development practices aligned ethical principles promoting well-being society at large thus reflecting commitment improving lives meaningful ways consistent with advancing scientific frontiers responsibly ethically sound manner fostering collaboration between academia industry stakeholders collectively driving forward progress toward better healthcare solutions benefiting humanity collectively responsible stewardship natural resources promoting sustainable practices future generations inherit healthier planet enabling continued growth innovation across multiple domains thereby contributing building better world together united efforts improving human condition every aspect possible ensuring positive impacts felt far reaching long term basis supporting initiatives aligned improving quality life everyone everywhere ultimately reflecting highest ideals humanity striving make world better place every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us every single day through dedication hard work continuous learning striving improve ourselves others around us ultimately creating brighter future generations inherit thus fulfilling true purpose existence making meaningful contributions world better place every single moment possible thereby reflecting highest ideals humanity stands together making difference every single day through collective efforts toward common goals advancing science technology responsibly ethically sound manner ensuring benefits shared equitably among all people regardless background circumstances enabling continued progress toward better future everyone collectively works toward achieving meaningful purpose fulfilling lives contributing positive changes world around us.
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