Cas no 147269-67-8 (Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate)
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Chemical and Physical Properties
Names and Identifiers
-
- Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate
- (2-OXO-1,2-DIHYDROPYRIDIN-3-YL)CARBAMIC ACID BENZYL ESTER
- Benzyl 2-oxo-1,2-dihydropyridin-3-ylcarbamate
- benzyl2-hydroxypyridin-3-ylcarbamate
- benzyl N-(2-oxo-1H-pyridin-3-yl)carbamate
- benzyl N-(2-oxo-1,2-dihydropyridin-3-yl)carbaMate
- benzyl 2-hydroxypyridin-3-ylcarbaMate
- PubChem22342
- MAJFINHRLBJIQL-UHFFFAOYSA-N
- 3-benzyloxycarbonylaminopyrid-2-one
- AM80974
- FCH2813620
- benzyl (2-hydroxypyridin-3-yl)carbamate
- AX8218232
- AB0022364
- ST24024
- FT-0734888
- (2-hydroxypyridin-3-yl)carbamic acid benzyl ester
- MFCD22576292
- SY259628
- DTXSID30476431
- BENZYL N-(2-HYDROXYPYRIDIN-3-YL)CARBAMATE
- SCHEMBL473221
- 3-(Cbz-amino)pyridin-2(1H)-one
- 147269-67-8
- AKOS015899560
- Benzyl(2-oxo-1,2-dihydropyridin-3-yl)carbamate
- EN300-28277768
- (2-oxo-1,2-dihydro-pyridin-3-yl)-carbamic acid benzyl ester
- A22804
- CS-0095547
- DS-16892
- 2-Oxo-1,2-dihydropyridine-3-carbamic acid benzyl ester
- DB-023622
-
- MDL: MFCD07772020
- Inchi: 1S/C13H12N2O3/c16-12-11(7-4-8-14-12)15-13(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)(H,15,17)
- InChI Key: MAJFINHRLBJIQL-UHFFFAOYSA-N
- SMILES: O(C(NC1=CC=CNC1=O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 244.08500
- Monoisotopic Mass: 244.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 382
- 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: 67.4
- XLogP3: 1.5
Experimental Properties
- Density: 1.29
- Boiling Point: 474.3°C at 760 mmHg
- Flash Point: 240.6°C
- Refractive Index: 1.617
- PSA: 71.19000
- LogP: 2.19660
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P280-P305+P351+P338
- Storage Condition:Sealed in dry,2-8°C(BD218232)
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JT633-50mg |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95+% | 50mg |
109.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-JT633-200mg |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95+% | 200mg |
320.0CNY | 2021-08-04 | |
| Alichem | A029191524-5g |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 5g |
788.59 USD | 2021-06-01 | |
| Alichem | A029191524-10g |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 10g |
1,276.52 USD | 2021-06-01 | |
| Alichem | A029191524-25g |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 25g |
2,763.60 USD | 2021-06-01 | |
| Chemenu | CM122377-1g |
benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 1g |
$179 | 2021-08-05 | |
| Chemenu | CM122377-5g |
benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 5g |
$655 | 2021-08-05 | |
| Chemenu | CM122377-10g |
benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 10g |
$1169 | 2021-08-05 | |
| Chemenu | CM122377-25g |
benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate |
147269-67-8 | 95% | 25g |
$2338 | 2021-08-05 | |
| abcr | AB457679-250 mg |
Benzyl 2-hydroxypyridin-3-ylcarbamate; . |
147269-67-8 | 250MG |
€120.60 | 2023-07-18 |
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Suppliers
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate Related Literature
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Additional information on Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate: A Comprehensive Overview of CAS No. 147269-67-8
Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate, identified by the CAS number 147269-67-8, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the class of heterocyclic derivatives, specifically featuring a dihydropyridine core structure. The dihydropyridine scaffold is well-known for its utility in various pharmacological applications, particularly in the development of cardiovascular drugs and calcium channel blockers. The presence of a carbamate functional group at the benzyl position introduces additional pharmacological potential, making this compound a subject of extensive research and development.
The chemical structure of Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate can be described as a derivative of 2-oxo-1,2-dihydropyridine, where the nitrogen atom at the 3-position is linked to a benzyl carbamate moiety. This configuration imparts unique electronic and steric properties to the molecule, which are critical for its interaction with biological targets. The dihydropyridine ring itself is characterized by a conjugated system that can participate in hydrogen bonding and hydrophobic interactions, both of which are essential for drug-receptor binding affinity.
In recent years, there has been growing interest in exploring the pharmacological properties of dihydropyridine derivatives due to their potential applications in treating various diseases. Specifically, compounds with modifications at the benzyl and carbamate positions have shown promise in modulating enzyme activities and receptor interactions. For instance, studies have indicated that modifications in this region can influence the binding affinity and selectivity of the compound towards specific biological targets.
One of the most compelling aspects of Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate is its versatility in serving as a building block for more complex pharmacophores. Researchers have utilized this compound to synthesize novel molecules with enhanced pharmacological profiles. For example, derivatives of this compound have been investigated for their potential anti-inflammatory and analgesic properties. The carbamate group, in particular, has been shown to enhance solubility and bioavailability, which are crucial factors in drug development.
The synthesis of Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate involves multi-step organic reactions that require precise control over reaction conditions. Typically, the synthesis starts with the formation of the dihydropyridine core through cyclization reactions followed by functionalization at the 3-position with a benzyl carbamate group. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to achieve high yields and purity levels.
From a computational chemistry perspective, molecular modeling studies have been instrumental in understanding the binding interactions of Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate with biological targets. These studies have provided insights into how structural modifications can influence binding affinity and selectivity. For instance, computational analysis has revealed that subtle changes in the benzyl ring can significantly alter the compound's interaction with enzymes such as kinases and phosphodiesterases.
In vitro studies have demonstrated that derivatives of this compound exhibit promising activities against various disease-related targets. Notably, some derivatives have shown inhibitory effects on enzymes involved in cancer pathways, making them attractive candidates for further development as anticancer agents. Additionally, preclinical studies have indicated potential therapeutic effects in cardiovascular diseases due to their ability to modulate calcium channels.
The pharmacokinetic properties of Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate are also subjects of interest. Research has focused on optimizing absorption, distribution, metabolism, and excretion (ADME) profiles to enhance therapeutic efficacy. Techniques such as structure-based drug design and ligand-based virtual screening have been employed to identify structural features that improve pharmacokinetic properties.
Recent advancements in biotechnology have enabled high-throughput screening methods that allow for rapid evaluation of large libraries of compounds. This has accelerated the discovery process for novel pharmacophores like those derived from Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate. By leveraging these technologies, researchers can identify lead compounds more efficiently and reduce the time required for drug development.
The role of medicinal chemistry in optimizing lead compounds cannot be overstated. By systematically modifying key structural features, chemists can enhance potency, selectivity, and pharmacokinetic properties. For instance, replacing hydrogen atoms on the benzyl ring with halogenated or alkoxycarbonyl groups has been shown to improve binding affinity towards certain biological targets.
In conclusion, Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate represents a promising scaffold for developing novel therapeutic agents. Its unique chemical structure and versatile pharmacological properties make it an attractive candidate for further research and development. As our understanding of biological systems continues to grow, compounds like this are likely to play an increasingly important role in addressing unmet medical needs.
147269-67-8 (Benzyl (2-oxo-1,2-dihydropyridin-3-yl)carbamate) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)