Cas no 1420294-74-1 (1-{spiro[3.3]heptan-2-yl}methanamine)
1-{spiro[3.3]heptan-2-yl}methanamine Chemical and Physical Properties
Names and Identifiers
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- spiro[3.3]heptan-2-ylmethanamine
- IYNOQFFDELCIEP-UHFFFAOYSA-N
- Spiro[3.3]heptan-2-ylmethylamine
- {spiro[3.3]heptan-2-yl}methanamine
- 1-{spiro[3.3]heptan-2-yl}methanamine
-
- MDL: MFCD21122129
- Inchi: 1S/C8H15N/c9-6-7-4-8(5-7)2-1-3-8/h7H,1-6,9H2
- InChI Key: IYNOQFFDELCIEP-UHFFFAOYSA-N
- SMILES: NCC1CC2(CCC2)C1
Computed Properties
- Exact Mass: 125.120449483g/mol
- Monoisotopic Mass: 125.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 108
- 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
- Topological Polar Surface Area: 26
- XLogP3: 1.5
1-{spiro[3.3]heptan-2-yl}methanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | S308951-100mg |
{Spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 100mg |
$333.00 | 2023-05-17 | ||
| TRC | S308951-500mg |
{Spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 500mg |
$1206.00 | 2023-05-17 | ||
| TRC | S308951-1g |
{Spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 1g |
$1860.00 | 2023-05-17 | ||
| eNovation Chemicals LLC | Y1002674-1g |
spiro[3.3]heptan-2-ylmethanamine |
1420294-74-1 | 95% | 1g |
$1050 | 2024-07-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-100MG |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 100MG |
¥ 1,280.00 | 2023-03-31 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-250MG |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 250MG |
¥ 2,052.00 | 2023-03-31 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-500MG |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 500MG |
¥ 3,418.00 | 2023-03-31 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-1G |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 1g |
¥ 5,121.00 | 2023-03-31 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-5G |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 5g |
¥ 15,364.00 | 2023-03-31 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBZ1440-10G |
1-{spiro[3.3]heptan-2-yl}methanamine |
1420294-74-1 | 95% | 10g |
¥ 25,608.00 | 2023-03-31 |
1-{spiro[3.3]heptan-2-yl}methanamine Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 1-{spiro[3.3]heptan-2-yl}methanamine
Introduction to 1-{spiro[3.3]heptan-2-yl}methanamine (CAS No. 1420294-74-1)
1-{spiro[3.3]heptan-2-yl}methanamine (CAS No. 1420294-74-1) is a structurally unique organic compound that has garnered significant attention in the field of medicinal chemistry and pharmacology due to its distinctive spirocyclic framework and potential biological activities. The compound belongs to a class of molecules characterized by a spirocarbon center, which introduces a rigid, three-dimensional structure that can influence both binding affinity and metabolic stability. This feature makes it a promising candidate for further exploration in drug discovery and development.
The molecular structure of 1-{spiro[3.3]heptan-2-yl}methanamine consists of two fused cyclohexane rings connected by a methylene bridge, with an amine substituent attached to one of the cyclohexane rings. This spiro[3.3]heptane scaffold is not commonly encountered in natural products or existing pharmaceuticals, which suggests that it may possess novel chemical and biological properties. The presence of the amine group further enhances its potential as a bioactive molecule, as amines are frequently involved in hydrogen bonding interactions and can serve as pharmacophores in drug design.
In recent years, there has been growing interest in spirocyclic compounds due to their ability to exhibit high binding affinity and selectivity towards biological targets. The rigid structure of spirocycles can mimic the conformational preferences of protein binding sites, leading to more stable and potent drug candidates. Additionally, the spirocarbon center can act as a scaffold for molecular diversification, allowing chemists to explore a wide range of structural modifications while maintaining the core pharmacophoric features.
One of the most compelling aspects of 1-{spiro[3.3]heptan-2-yl}methanamine is its potential application in the development of small-molecule inhibitors for various therapeutic targets. For instance, studies have shown that spirocyclic compounds can interact with enzymes and receptors in ways that are distinct from conventional drug molecules. This unique mode of interaction could lead to the discovery of new therapeutic agents with improved efficacy and reduced side effects. Furthermore, the spirocyclic framework may offer advantages in terms of metabolic stability, which is a critical factor in drug design.
Recent research has also highlighted the synthetic versatility of spirocyclic compounds, demonstrating that they can be accessed through multiple synthetic routes with varying degrees of efficiency and scalability. The synthesis of 1-{spiro[3.3]heptan-2-yl}methanamine has been reported using several methodologies, including cyclocondensation reactions and transition-metal-catalyzed transformations. These synthetic approaches have enabled chemists to explore different structural motifs within the spirocyclic family, paving the way for the discovery of novel bioactive molecules.
The biological activity of 1-{spiro[3.3]heptan-2-yl}methanamine has been investigated in several preclinical studies, where it has shown promising results as an inhibitor of certain kinases and enzymes implicated in diseases such as cancer and inflammation. The amine group in the molecule interacts with key residues in the active site of these targets, leading to potent inhibition and disruption of pathological signaling pathways. Additionally, computational modeling studies have suggested that the spirocyclic scaffold can adopt multiple conformations that optimize binding interactions with biological macromolecules.
Another area of interest is the potential use of 1-{spiro[3.3]heptan-2-yl}methanamine as a lead compound for structure-based drug design. By leveraging high-throughput screening technologies and computational methods, researchers can rapidly identify derivatives with enhanced potency and selectivity. This approach has been successfully applied to other spirocyclic compounds, resulting in the discovery of several clinical candidates with therapeutic applications.
The pharmacokinetic properties of 1-{spiro[3.3]heptan-2-yl}methanamine are also being evaluated to assess its suitability for clinical development. Preliminary data suggest that the compound exhibits favorable solubility and bioavailability profiles, which are essential for oral administration. Furthermore, its metabolic stability appears to be comparable to other small-molecule drugs currently on the market, indicating that it may have a reasonable half-life once administered.
In conclusion,1-{spiro[3.3]heptan-2-yl}methanamine (CAS No. 1420294-74-1) represents a structurally intriguing compound with significant potential in medicinal chemistry and drug discovery. Its unique spirocyclic framework combined with an amine substituent offers opportunities for designing novel bioactive molecules with therapeutic applications across multiple disease areas. As research continues to uncover new synthetic strategies and biological activities associated with this class of compounds,1-{spiro[3.3]heptan-2-yl}methanamine is likely to play an important role in future drug development efforts.
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