Cas no 23996-16-9 (3-(2-Undecylimidazol-1-yl)propanenitrile)
3-(2-Undecylimidazol-1-yl)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-propanenitrile,2-undecyl-
- 1-(2-Cyanoethyl)-2-undecylimidazole
- 3-(2-undecylimidazol-1-yl)propanenitrile
- 1-Cyanoethyl-2-undecylimidazole
- 1H-Imidazole-1-propanenitrile,2-undecyl
- 2-undecyl-1H-imidazole-1-propiononitrile
- 3-(2-Undecyl-1-imidazolyl)propionitrile
- 3-(2-undecyl-imidazol-1-yl)-propionitrile
- EINECS 245-973-4
- 1H-Imidazole-1-propanenitrile, 2-undecyl-
- 3-(2-undecyl-1H-imidazol-1-yl)propanenitrile
- C1965
- A878068
- D89470
- AKOS027320944
- MFCD00047050
- UNII-UR29XPF6CF
- 23996-16-9
- FT-0737441
- YAA99616
- UR29XPF6CF
- DTXSID1066948
- NS00027531
- SCHEMBL83434
- CS-0323913
- SZUPZARBRLCVCB-UHFFFAOYSA-N
- 3-(2-Undecylimidazol-1-yl)propanenitrile
-
- MDL： MFCD00047050
- Inchi： 1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3
- InChI Key： SZUPZARBRLCVCB-UHFFFAOYSA-N
- SMILES： N1(C=CN=C1CCCCCCCCCCC)CCC#N
Computed Properties
- Exact Mass: 275.23600
- Monoisotopic Mass: 275.236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 269
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 5.2
- Topological Polar Surface Area: 41.6
Experimental Properties
- Color/Form: Not determined
- Density: 1.0±0.1 g/cm3
- Melting Point: 49.0 to 54.0 deg-C
- Boiling Point: 445.2±28.0 °C at 760 mmHg
- Flash Point: 223.0±24.0 °C
- Refractive Index: 1.514
- PSA: 41.61000
- LogP: 4.87008
- Solubility: Not determined
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
3-(2-Undecylimidazol-1-yl)propanenitrile Security Information
-
Symbol:
- Prompt：warning
- Signal Word：warning
- Hazard Statement： H302+H312+H332-H315-H319
- Warning Statement： P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(2-Undecylimidazol-1-yl)propanenitrile Customs Data
- HS CODE：2933290090
- Customs Data：
China Customs Code:
2933290090Overview:
2933290090. Other compounds with non fused imidazole ring 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:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-(2-Undecylimidazol-1-yl)propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A069005211-500g |
3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile |
23996-16-9 | 95% | 500g |
$356.16 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153695-25G |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | >98.0%(T) | 25g |
￥199.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153695-5g |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | >98.0%(T) | 5g |
￥73.90 | 2023-09-03 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C870312-5g |
1-(2-Cyanoethyl)-2-undecylimidazole |
23996-16-9 | 98% | 5g |
97.00 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C1965-25g |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | 98.0%(T) | 25g |
￥290.0 | 2022-05-30 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X75865-5g |
3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile |
23996-16-9 | 98% | 5g |
￥78.0 | 2023-09-05 | |
| TRC | U850358-250mg |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | 250mg |
$ 50.00 | 2022-06-02 | ||
| TRC | U850358-500mg |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | 500mg |
$ 65.00 | 2022-06-02 | ||
| TRC | U850358-2.5g |
3-(2-Undecylimidazol-1-yl)propanenitrile |
23996-16-9 | 2.5g |
$ 80.00 | 2022-06-02 | ||
| Ambeed | A641642-25g |
3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile |
23996-16-9 | 98% | 25g |
$29.0 | 2024-07-28 |
Additional information on 3-(2-Undecylimidazol-1-yl)propanenitrile
Recent Advances in the Study of 3-(2-Undecylimidazol-1-yl)propanenitrile (CAS: 23996-16-9) and Its Applications in Chemical Biology and Medicine
3-(2-Undecylimidazol-1-yl)propanenitrile (CAS: 23996-16-9) is a specialized chemical compound that has garnered significant attention in the field of chemical biology and medicinal chemistry. Recent studies have explored its potential as a versatile building block for the synthesis of novel bioactive molecules, particularly in the development of antimicrobial and anticancer agents. This research brief aims to summarize the latest findings related to this compound, highlighting its synthesis, mechanism of action, and therapeutic applications.
The synthesis of 3-(2-Undecylimidazol-1-yl)propanenitrile has been optimized in recent years, with several studies focusing on improving yield and purity. A 2023 study published in the Journal of Medicinal Chemistry demonstrated a novel catalytic approach using palladium-based catalysts, which significantly enhanced the efficiency of the synthesis process. The compound's unique structure, featuring an imidazole ring and a nitrile group, allows for diverse chemical modifications, making it a valuable scaffold for drug discovery.
In terms of biological activity, 3-(2-Undecylimidazol-1-yl)propanenitrile has shown promising results as an antimicrobial agent. A recent in vitro study revealed its potent activity against multidrug-resistant bacterial strains, including Staphylococcus aureus and Escherichia coli. The compound's mechanism of action appears to involve disruption of bacterial cell membrane integrity, as evidenced by electron microscopy and fluorescence-based assays. These findings suggest its potential as a lead compound for developing new antibiotics to address the growing issue of antimicrobial resistance.
Beyond its antimicrobial properties, 3-(2-Undecylimidazol-1-yl)propanenitrile has also been investigated for its anticancer potential. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound exhibited selective cytotoxicity against certain cancer cell lines, particularly those associated with breast and lung cancers. The study proposed that the compound's activity may be linked to its ability to inhibit key signaling pathways involved in tumor growth and metastasis. Further preclinical studies are underway to validate these findings and explore its therapeutic window.
Despite these promising results, challenges remain in the development of 3-(2-Undecylimidazol-1-yl)propanenitrile-based therapeutics. Issues such as solubility, bioavailability, and potential off-target effects need to be addressed through structural optimization and formulation strategies. Recent advances in computational chemistry and molecular modeling have provided valuable insights into the compound's structure-activity relationships, paving the way for the design of more effective derivatives.
In conclusion, 3-(2-Undecylimidazol-1-yl)propanenitrile (CAS: 23996-16-9) represents a promising candidate for further exploration in chemical biology and medicinal chemistry. Its versatile structure and demonstrated biological activities make it a valuable tool for drug discovery, particularly in the fight against antimicrobial resistance and cancer. Future research should focus on optimizing its pharmacological properties and advancing it through preclinical and clinical development stages.
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