Cas no 550-90-3 (7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)-)
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)- Chemical and Physical Properties
Names and Identifiers
-
- 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)-
- (+)-Lupanine Perchlorate
- Lupanine
- LUPANINE(SH)
- 2-OXO-3-PYRROLIDINECARBOXYLIC ACID
- 2-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
- 2-oxosparteine
- 3-Pyrrolidinecarboxylic acid,2-oxo
- Spartein-15-one
- [ "2-Oxosparteine" ]
- 4356-43-8
- (+)-2-Oxosparteine
- JYIJIIVLEOETIQ-XDQVBPFNSA-N
- (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0?,?.0??,??]heptadecan-6-one
- AKOS040760061
- Lupanine, (+/-)-
- SCHEMBL564463
- LUPANINE, (+)-
- Lupanin
- NS00094225
- (+/-)-LUPANINE
- UNII-9K48888N9P
- DTXSID001023908
- 183KU7535A
- Q27103558
- UNII-183KU7535A
- 7,14-METHANO-2H,11H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-11-ONE, DODECAHYDRO-, (7R,7AS,14R,14AR)-REL-
- 9K48888N9P
- CHEBI:28193
- (+/-)-2-OXOSPARTEINE
- d-Lupanine
- (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
- (RAC)-2-OXOSPARTEINE
- 550-90-3
- LUPANINE D-FORM [MI]
- CHEMBL459396
- LUPANINE DL-FORM [MI]
- Lupanine d-form
- Spartein-2-one
- 7,14-METHANO-2H,11H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-11-ONE, DODECAHYDRO-, (7S,7AR,14S,14AS)-
- DL-LUPANINE
- CS-0023989
- AT20203
- (7alpha,7aalpha,14alpha,14abeta)-dodecahydro-7,14-methano-2H,11H-dipyridol[1,2-a:1',2'-e][1,5]diazocin-11-one
- (+)-Lupanine
- HY-N3359
- Lupanine, D-
- (7alpha,7aalpha,14alpha,14abeta)-dodecahydro-7,14-methano-2H,11H-dipyridol(1,2-a:1',2'-e)(1,5)diazocin-11-one
- DA-49111
- 15-Oxosparteine
-
- MDL: MFCD00870094
- Inchi: 1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1
- InChI Key: JYIJIIVLEOETIQ-XDQVBPFNSA-N
- SMILES: O=C1CCC[C@@H]2[C@@H]3CN4CCCC[C@H]4[C@H](CN21)C3
Computed Properties
- Exact Mass: 248.18900
- Monoisotopic Mass: 248.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 356
- 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
- Topological Polar Surface Area: 23.6A^2
- XLogP3: 1.6
Experimental Properties
- Color/Form: Oil
- Density: 0.9789 (rough estimate)
- Melting Point: 40-44°
- Boiling Point: bp3 190-193°
- Flash Point: 172.7°C
- Refractive Index: nD24 1.5444
- PSA: 23.55000
- LogP: 1.74750
- Specific Rotation: D25 +84° (c = 4.8 in alc)
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)- Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | L75400-5mg |
Lupanine |
550-90-3 | 5mg |
¥3200.0 | 2021-09-09 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TMA0805-1 mg |
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550-90-3 | 1mg |
¥1635.00 | 2022-04-26 | ||
| Ambeed | A681298-1mg |
(7S,7aR,14S,14aS)-Dodecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one |
550-90-3 | 98% | 1mg |
$286.0 | 2025-02-28 | |
| Aaron | AR00DHFT-5mg |
Lupanine |
550-90-3 | 96% | 5mg |
$436.00 | 2025-02-13 | |
| A2B Chem LLC | AG28029-1mg |
lupanine |
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$325.00 | 2024-04-19 | |
| A2B Chem LLC | AG28029-2.5mg |
lupanine |
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$725.00 | 2023-12-30 | |
| TargetMol Chemicals | TMA0805-25mg |
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¥ 10600 | 2024-07-19 | ||
| MedChemExpress | HY-N3359-1mg |
Lupanine |
550-90-3 | ≥96.0% | 1mg |
¥2900 | 2024-04-18 | |
| TargetMol Chemicals | TMA0805-5 mg |
Lupanine |
550-90-3 | 98% | 5mg |
¥ 7,000 | 2023-07-11 | |
| TargetMol Chemicals | TMA0805-50 mg |
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¥ 13,800 | 2023-07-11 |
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)- Suppliers
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
Additional information on 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)-
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)-: A Comprehensive Overview
The compound with CAS No. 550-90-3, commonly referred to as 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one,dodecahydro-, (7S,7aR,14S,14aS)-, is a highly specialized organic molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of diazocins, which are known for their unique structural features and potential applications in drug discovery. The diazocin framework is particularly intriguing due to its bicyclic structure and the presence of nitrogen atoms within the ring system.
Recent advancements in synthetic chemistry have enabled researchers to explore the synthesis and characterization of this compound in greater depth. The dodecahydro designation indicates a fully hydrogenated structure, which contributes to its stability and potential bioavailability. The stereochemistry of the compound is defined by its specific configuration at four chiral centers: (7S,7aR,14S,14aS). This stereochemical arrangement is crucial for understanding its pharmacokinetic properties and biological activity.
One of the most notable aspects of this compound is its dipyrido framework. The dipyrido system refers to the presence of two pyridine rings fused together in a specific manner. This structural motif is not only aesthetically pleasing but also functionally significant. The dipyrido[1,2-a:1',2'-e] nomenclature highlights the positions of fusion between the two pyridine rings and the diazocin core. Such a structure can potentially serve as a scaffold for various functional groups that could enhance its biological activity.
Recent studies have focused on the synthesis and stereocontrol of this compound. Researchers have employed advanced methodologies such as enantioselective catalysis and asymmetric synthesis to achieve the desired stereochemistry. These efforts have been instrumental in improving the yield and purity of the compound while maintaining its structural integrity. The ability to synthesize this compound with high enantiomeric excess has opened new avenues for exploring its pharmacological properties.
The biological activity of CAS No. 550-90-3 has been a focal point of recent investigations. Preclinical studies suggest that this compound exhibits potent activity against certain types of cancer cells. Its ability to inhibit key enzymes involved in cell proliferation has made it a promising candidate for anticancer drug development. Furthermore, studies on its toxicological profile indicate that it has a favorable safety margin when administered at therapeutic doses.
In addition to its therapeutic potential, this compound has also been explored for its role in drug delivery systems. Its unique structure allows for easy functionalization with targeting moieties or drug payloads. Researchers have successfully conjugated this compound with various ligands to enhance its specificity towards certain cell types or tissues.
From an analytical standpoint, modern techniques such as NMR spectroscopy and X-ray crystallography have been employed to confirm the structure and stereochemistry of CAS No. 550-90-3. These tools have provided invaluable insights into the spatial arrangement of atoms within the molecule and have helped validate theoretical models proposed by researchers.
The development of efficient synthetic routes for this compound remains an active area of research. Traditional methods often involve multi-step processes with low yields; however, recent innovations have introduced more streamlined approaches that minimize waste and improve scalability.
In conclusion, CAS No. 550-90-3 represents a significant advancement in organic chemistry with promising applications in medicine and drug delivery systems. Its unique structure and stereochemistry provide a foundation for further exploration into its biological properties and potential therapeutic uses.