Cas no 122280-00-6 (4-(aminomethyl)cyclohexane-1-carboxamide)
4-(aminomethyl)cyclohexane-1-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide,4-(aminomethyl)-
- Cyclohexanecarboxamide, 4-(aminomethyl)- (9CI)
- 4-(aminomethyl)Cyclohexanecarboxamide
- 4-(aminomethyl)cyclohexane-1-carboxamide
- SCHEMBL10489690
- SCHEMBL1655177
- Cyclohexanecarboxamide, 4-(aminomethyl)-, cis- (9CI)
- (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxamide
- EN300-147756
- EN300-256653
- 121487-74-9
- starbld0018402
- AKOS012103201
- Cyclohexanecarboxamide, 4-(aminomethyl)-, trans- (9CI)
- 121487-82-9
- FT-0724753
- 122280-00-6
- SCHEMBL16606775
- SCHEMBL3465799
- trans-4-(Aminomethyl)cyclohexanecarboxamide
-
- Inchi: 1S/C8H16N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H2,10,11)
- InChI Key: RSILLSRLAWUTAY-UHFFFAOYSA-N
- SMILES: O=C(C1CCC(CN)CC1)N
Computed Properties
- Exact Mass: 156.12638
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 139
- 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: -0.4
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- PSA: 69.11
4-(aminomethyl)cyclohexane-1-carboxamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-147756-50mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 50mg |
$719.0 | 2023-09-28 | ||
| Enamine | EN300-147756-100mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 100mg |
$755.0 | 2023-09-28 | ||
| Enamine | EN300-147756-250mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 250mg |
$789.0 | 2023-09-28 | ||
| Enamine | EN300-147756-500mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 500mg |
$823.0 | 2023-09-28 | ||
| Enamine | EN300-147756-1000mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 1000mg |
$857.0 | 2023-09-28 | ||
| Enamine | EN300-147756-2500mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 2500mg |
$1680.0 | 2023-09-28 | ||
| Enamine | EN300-147756-5000mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 5000mg |
$2485.0 | 2023-09-28 | ||
| Enamine | EN300-147756-10000mg |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 10000mg |
$3683.0 | 2023-09-28 | ||
| Enamine | EN300-147756-1.0g |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 1g |
$0.0 | 2023-06-07 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN8896-100MG |
4-(aminomethyl)cyclohexane-1-carboxamide |
122280-00-6 | 95% | 100MG |
¥ 924.00 | 2023-04-05 |
4-(aminomethyl)cyclohexane-1-carboxamide Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on 4-(aminomethyl)cyclohexane-1-carboxamide
Introduction to 4-(aminomethyl)cyclohexane-1-carboxamide (CAS No: 122280-00-6)
4-(aminomethyl)cyclohexane-1-carboxamide, identified by its Chemical Abstracts Service (CAS) number 122280-00-6, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This amide derivative features a cyclohexane backbone substituted with an amino methyl group at the 4-position and a carboxamide functionality at the 1-position. Its unique structural attributes make it a valuable intermediate in the development of various therapeutic agents, particularly those targeting neurological and inflammatory disorders.
The compound’s molecular structure, characterized by a rigid cyclohexane ring and flexible amine and amide groups, contributes to its versatility in medicinal chemistry. The presence of both an amine and a carboxamide moiety allows for diverse functionalization, enabling the synthesis of peptidomimetics, protease inhibitors, and other biologically active molecules. Recent advancements in drug design have highlighted the potential of such scaffolds in modulating enzyme activity and receptor interactions.
In the context of modern pharmaceutical research, 4-(aminomethyl)cyclohexane-1-carboxamide has garnered attention for its role in the synthesis of novel small-molecule inhibitors. For instance, studies have demonstrated its utility in developing compounds that exhibit inhibitory effects on matrix metalloproteinases (MMPs), which are implicated in various pathological processes, including cancer metastasis and tissue degradation. The cyclohexane ring’s conformational flexibility allows for precise tuning of binding affinity, making it an attractive scaffold for structure-based drug design.
Moreover, the compound’s derivatives have been explored in preclinical models for their potential therapeutic applications. Research has indicated that modifications to the aminomethyl and carboxamide groups can significantly alter pharmacokinetic properties, such as solubility and metabolic stability. These findings are particularly relevant in the quest for orally bioavailable drugs with improved pharmacological profiles. The ability to fine-tune these properties underscores the compound’s significance as a building block in medicinal chemistry.
Recent publications have also highlighted the compound’s role in addressing neurological disorders. The cyclohexyl moiety’s ability to mimic natural amino acid structures has been leveraged in designing ligands that interact with neurotransmitter receptors. For example, derivatives of 4-(aminomethyl)cyclohexane-1-carboxamide have shown promise in modulating glutamate receptor activity, which is crucial for synaptic transmission and neuronal plasticity. Such discoveries align with ongoing efforts to develop treatments for neurodegenerative diseases like Alzheimer’s and Parkinson’s.
The synthetic pathways to 4-(aminomethyl)cyclohexane-1-carboxamide are another area of active investigation. Researchers have developed efficient multi-step syntheses that highlight the compound’s accessibility from readily available starting materials. These methodologies often involve cyclization reactions followed by nucleophilic substitutions or amidation steps, showcasing the compound’s synthetic versatility. The optimization of these synthetic routes is essential for large-scale production, ensuring cost-effective access to this valuable intermediate.
From a computational chemistry perspective, 4-(aminomethyl)cyclohexane-1-carboxamide has been subjected to extensive molecular modeling studies. These investigations aim to elucidate its binding interactions with biological targets at an atomic level. Advanced techniques such as molecular dynamics simulations and quantum mechanical calculations have provided insights into how structural modifications can enhance binding affinity and selectivity. Such computational approaches are indispensable in modern drug discovery pipelines, complementing experimental efforts.
The compound’s potential extends beyond traditional pharmaceutical applications into agrochemicals and material science. Its structural motifs have inspired novel formulations for crop protection agents, where similar amide functionalities contribute to bioactivity against pests and pathogens. Additionally, research into polymer chemistry has explored derivatives of 4-(aminomethyl)cyclohexane-1-carboxamide as monomers or crosslinking agents, demonstrating its versatility across multiple scientific disciplines.
In conclusion, 4-(aminomethyl)cyclohexane-1-carboxamide (CAS No: 122280-00-6) represents a cornerstone in synthetic chemistry with far-reaching implications in drug development and material science. Its unique structural features enable diverse functionalization, making it a preferred scaffold for designing novel therapeutics targeting neurological and inflammatory diseases. As research continues to uncover new applications and synthetic methodologies, this compound is poised to remain at the forefront of pharmaceutical innovation.
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