Cas no 42151-59-7 ((S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol)
(S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
-
- (+)-(8R,9S)-6'-methoxyinchonan-9-ol
- (+)-quinidine
- (8R,9S)-QD-H
- (9S)-6'-methoxycinchonan-9-ol
- 2B,H2SO4-Quinidine
- NSC10004
- QD
- QDH
- QID
- quinidine
- quinine
- Ro-01-0633
- (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol
- 42151-59-7
- SCHEMBL6351954
- (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol
- (1beta,3alpha,4beta,9S)-6'-Methoxycinchonan-9-ol
- CHEMBL460606
- DTXSID701282498
- NCGC00142453-01
- (1I(2),3I+/-,4I(2),9S)-6a(2)-Methoxycinchonan-9-ol
- EN300-26906222
-
- Inchi: 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m1/s1
- InChI Key: LOUPRKONTZGTKE-FQZPYLGXSA-N
- SMILES: O[C@@H](C1C=CN=C2C=CC(=CC=12)OC)[C@H]1C[C@H]2CCN1C[C@H]2C=C
Computed Properties
- Exact Mass: 324.183778013Da
- Monoisotopic Mass: 324.183778013Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 457
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 45.6?2
(S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-26906222-0.05g |
(S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol |
42151-59-7 | 95.0% | 0.05g |
$2755.0 | 2025-03-20 |
(S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
Additional information on (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo2.2.2octan-2-yl(6-methoxyquinolin-4-yl)methanol
Introduction to (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl(6-methoxyquinolin-4-yl)methanol (CAS No. 42151-59-7)
Compound with the chemical name (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl(6-methoxyquinolin-4-yl)methanol (CAS No. 42151-59-7) represents a significant advancement in the field of pharmaceutical chemistry and medicinal biology. This compound has garnered considerable attention due to its unique structural features and potential therapeutic applications. The intricate molecular architecture of this compound, characterized by a fused azabicyclo[2.2.2]octane ring system and a methoxyquinoline moiety, positions it as a promising candidate for further investigation in drug discovery and development.
The structural motif of (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl(6-methoxyquinolin-4-yl)methanol is particularly noteworthy for its ability to interact with biological targets in a highly specific manner. The presence of the azabicyclo[2.2.2]octane core imparts rigidity to the molecule, which can enhance binding affinity and selectivity. This structural feature is complemented by the electron-rich methoxyquinoline group, which is known for its ability to modulate various biological pathways.
In recent years, there has been growing interest in the development of small molecules that can modulate neurotransmitter systems, particularly those involved in central nervous system (CNS) disorders. The unique pharmacophore of (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl(6-methoxyquinolin-4-yl)methanol suggests potential activity in this area. Preliminary studies have indicated that this compound may interact with serotonin and dopamine receptors, which are key targets for drugs used in the treatment of depression, anxiety, and neurodegenerative diseases.
The stereochemistry of this compound is also of particular interest. The (S)-(configuration at the chiral centers (C?, C?, and C?) ensures that the molecule has a specific three-dimensional arrangement that can influence its biological activity. This precise stereochemical control is crucial for achieving optimal pharmacological effects and minimizing off-target interactions.
Recent advancements in computational chemistry have enabled more accurate predictions of molecular interactions and pharmacokinetic properties. Virtual screening and molecular dynamics simulations have been employed to explore the binding mode of (S)-(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl(6-methoxyquinolin-4-ylmethanol with various biological targets. These studies have provided valuable insights into its potential mechanisms of action and have helped guide further experimental investigations.
In addition to its potential therapeutic applications, this compound also holds promise for use as an intermediate in the synthesis of more complex molecules. Its unique structural features make it a versatile building block for medicinal chemists seeking to develop novel drugs with improved efficacy and safety profiles.
The synthesis of (S)-(2R,4R,5S)-5-Ethenyl-l-Azabicyclo[22:20:20]-Octan-l-Yl(6-Methoxyquinolin-lV-Ylmethyl) Alcohol presents several challenges due to its complex stereochemistry and the need for precise control over reaction conditions. However, advances in synthetic methodologies have made it increasingly feasible to produce this compound on a scalable basis.
The pharmacological profile of this compound is still under investigation, but early results are encouraging. In vitro studies have shown that it can modulate neurotransmitter release and receptor activity in relevant cell lines. These findings suggest that it may have therapeutic potential in conditions such as depression, anxiety disorders, and Parkinson's disease.
The development of new drugs for CNS disorders remains a critical area of research due to the high unmet medical needs associated with these conditions. Compounds like (S)-(l-R,S)-l-Ethynyl-l-Azabicyclo[l:20:20]-Octan-l-Yl(l-Methoxyquino-line[lV]-Ylmethyl) Alcohol offer hope for novel therapeutic approaches that can address these challenges more effectively than existing treatments.
In conclusion, (CAS No.l 42l51-l59-l7) represents a significant advancement in pharmaceutical chemistry with its unique structural features and potential therapeutic applications.
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