Cas no 1309981-26-7 (N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine)
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine Chemical and Physical Properties
Names and Identifiers
-
- N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
- 2-(Cyclohexylmethylamino)pyridine-5-boronic acid pinacol ester
- DTXSID50660678
- AB29936
- 2-Pyridinamine, N-(cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- AKOS015950072
- 1309981-26-7
- 6-(Cyclohexylmethylamino)pyridine-3-boronic acid pinacol ester
- FD10425
-
- MDL: MFCD06798276
- Inchi: 1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21-13-15)20-12-14-8-6-5-7-9-14/h10-11,13-14H,5-9,12H2,1-4H3,(H,20,21)
- InChI Key: SSFGOSPKVWPAJV-UHFFFAOYSA-N
- SMILES: O1B(C2=CN=C(C=C2)NCC2CCCCC2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 316.23200
- Monoisotopic Mass: 316.2322083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 381
- 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: 43.4?2
Experimental Properties
- PSA: 46.61000
- LogP: 2.79490
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM127048-1g |
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
1309981-26-7 | 95 % | 1g |
$317 | 2021-08-05 | |
| Chemenu | CM127048-1g |
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
1309981-26-7 | 95%+ | 1g |
$349 | 2024-08-02 | |
| Alichem | A029192879-1g |
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
1309981-26-7 | 95% | 1g |
400.00 USD | 2021-06-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1627955-1g |
N-(cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
1309981-26-7 | 98% | 1g |
¥3204.00 | 2024-08-09 |
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
Additional information on N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CAS No. 1309981-26-7): A Comprehensive Overview
N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CAS No. 1309981-26-7) is a versatile compound with significant applications in the fields of medicinal chemistry and drug discovery. This compound belongs to the class of boronic esters and is characterized by its unique structural features and chemical properties. In recent years, it has gained considerable attention due to its potential in various biological and pharmaceutical contexts.
The chemical structure of N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is composed of a pyridine ring substituted with a cyclohexylmethyl amine group and a boronic ester moiety. The boronic ester functionality is particularly noteworthy as it provides the compound with unique reactivity and stability properties. These properties make it an attractive candidate for use in Suzuki-Miyaura cross-coupling reactions, which are widely employed in the synthesis of complex organic molecules and pharmaceuticals.
Recent studies have highlighted the importance of N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound can be effectively used as a building block for the synthesis of potent inhibitors of specific protein-protein interactions (PPIs). PPIs are critical for many cellular processes and are often implicated in various diseases, including cancer and neurodegenerative disorders. By targeting these interactions, N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine derivatives have shown promise in disrupting disease pathways and offering new therapeutic strategies.
In addition to its role in PPI inhibition, N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has also been explored for its potential as a scaffold for the development of small molecule modulators of G protein-coupled receptors (GPCRs). GPCRs are a large family of membrane receptors that play crucial roles in signal transduction and are important targets for drug discovery. Research has shown that derivatives of this compound can modulate GPCR activity with high selectivity and potency. This makes N-(Cyclohexylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y)pyridin--amine an attractive starting point for the design of new drugs targeting GPCRs.
The synthetic accessibility of N-(Cyclohexylmethyl)-5-(4,-tetramethyl--dioxaborolan--y)pyridin--amine is another factor contributing to its widespread use in research and development. The compound can be synthesized using well-established methods involving palladium-catalyzed reactions and boronic ester chemistry. These synthetic routes are highly efficient and scalable, making it feasible to produce large quantities of the compound for both academic research and industrial applications.
Furthermore, the stability and solubility properties of N-(Cyclohexylmethyl)-5-(4,-tetramethyl--dioxaborolan--y)pyridin--amine have been extensively studied. It has been found to exhibit good stability under various reaction conditions and can be stored without significant degradation over extended periods. This stability is crucial for maintaining the integrity of the compound during long-term storage and transportation.
In conclusion, N-(Cyclohexylmethyl)-5-(4,-tetramethyl--dioxaborolan--y)pyridin--amine (CAS No. 1309981-) is a highly valuable compound with a wide range of applications in medicinal chemistry and drug discovery. Its unique structural features and chemical properties make it an ideal candidate for the development of novel therapeutic agents targeting protein-protein interactions and G protein-coupled receptors. The ease of synthesis and favorable stability further enhance its utility in both research and industrial settings. As ongoing research continues to uncover new applications for this compound, it is expected to play an increasingly important role in advancing our understanding of biological processes and developing innovative treatments for various diseases.
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