Cas no 585531-74-4 (1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester)
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester Chemical and Physical Properties
Names and Identifiers
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- 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester
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- Inchi: 1S/C32H60N4O8/c1-29(2,3)41-25(37)21-33-13-15-34(22-26(38)42-30(4,5)6)17-19-36(24-28(40)44-32(10,11)12)20-18-35(16-14-33)23-27(39)43-31(7,8)9/h13-24H2,1-12H3
- InChI Key: DWYNJWTYDHZUQY-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 44
- Rotatable Bond Count: 16
Experimental Properties
- Density: 1.038±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Extremely soluble (1000 g/l) (25 o C),
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester Security Information
- Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B878329-2mg |
BFCAs-1 |
585531-74-4 | 98% | 2mg |
¥2,393.10 | 2022-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B878329-5mg |
BFCAs-1 |
585531-74-4 | 98% | 5mg |
¥3,591.00 | 2022-09-02 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce45226-2mg |
BFCAs-1 |
585531-74-4 | 98% | 2mg |
¥2079.00 | 2023-09-08 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce45226-5mg |
BFCAs-1 |
585531-74-4 | 98% | 5mg |
¥3120.00 | 2023-09-08 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce45226-10mg |
BFCAs-1 |
585531-74-4 | 98% | 10mg |
¥4457.00 | 2023-09-08 | |
| Biosynth | KYA53174-1 mg |
tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid |
585531-74-4 | 1mg |
$291.50 | 2023-01-04 | ||
| Biosynth | KYA53174-5 mg |
tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid |
585531-74-4 | 5mg |
$947.40 | 2023-01-04 | ||
| Biosynth | KYA53174-10 mg |
tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid |
585531-74-4 | 10mg |
$1,515.80 | 2023-01-04 | ||
| Biosynth | KYA53174-25 mg |
tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid |
585531-74-4 | 25mg |
$2,842.25 | 2023-01-04 | ||
| Biosynth | KYA53174-50 mg |
tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid |
585531-74-4 | 50mg |
$4,547.50 | 2023-01-04 |
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
Additional information on 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester
The compound with CAS No. 585531-74-4, known as 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tetrakis(1,1-dimethylethyl) ester, is a highly specialized organic compound with a complex structure and diverse applications. This compound belongs to the class of macrocyclic polyamides and is widely recognized for its unique properties in coordination chemistry and bioconjugation. The molecule consists of a tetraazacyclododecane ring system with four acetic acid groups substituted at positions 1, 4, 7, and 10. These acetic acid groups are further esterified with tert-butyl (tetrakis(1,1-dimethylethyl)) groups, which enhances its stability and solubility in organic solvents.
Recent studies have highlighted the importance of this compound in the field of metal chelation. The macrocyclic structure of tetraazacyclododecane provides an ideal platform for coordinating metal ions due to its high flexibility and ability to form stable complexes. This property makes it particularly useful in applications such as magnetic resonance imaging (MRI) contrast agents and enzyme inhibitors. For instance, research has shown that the coordination of gadolinium ions with this compound significantly improves the relaxivity properties of MRI contrast agents, leading to enhanced image quality and diagnostic accuracy.
In addition to its role in medical imaging, this compound has also been explored for its potential in drug delivery systems. The tert-butyl ester groups attached to the acetic acid moieties not only improve the compound's stability but also serve as functional handles for further chemical modifications. This makes it an attractive candidate for designing bioconjugates that can target specific tissues or cells. Recent advancements in click chemistry have enabled the efficient conjugation of this compound with various biomolecules such as peptides and antibodies, opening new avenues for targeted therapy.
The synthesis of tetraazacyclododecane-tetraacetic acid ester involves a multi-step process that typically starts with the preparation of the macrocyclic tetraazacyclododecane ring. This is followed by the introduction of carboxylic acid groups at specific positions through nucleophilic substitution or other suitable reactions. The final step involves the esterification of these carboxylic acids with tert-butanol to form the tetrakis(tert-butyl) ester derivative. The reaction conditions are carefully optimized to ensure high yield and purity of the final product.
From a structural perspective, the molecule exhibits a high degree of symmetry due to the regular spacing of nitrogen atoms in the tetraazacyclododecane ring. This symmetry contributes to its stability and ability to form uniform complexes with metal ions. The presence of four equivalent acetic acid groups further enhances its chelating capacity and makes it highly versatile in various chemical and biological applications.
One of the most promising areas of research involving this compound is its application in enzyme inhibition studies. By coordinating metal ions such as zinc or magnesium that are essential for enzyme activity, this compound can effectively inhibit enzyme function without causing significant toxicity to surrounding cells. This property has been exploited in developing potential therapeutic agents for diseases such as cancer and neurodegenerative disorders.
Furthermore, recent advancements in materials science have explored the use of this compound as a building block for constructing supramolecular assemblies and nanoparticles. Its ability to coordinate multiple metal ions simultaneously allows for the formation of complex architectures that can be tailored for specific applications such as sensing or catalysis.
In conclusion,tetraazacyclododecane-tetraacetic acid,tetrakis(tert-butyl) ester is a versatile compound with a wide range of applications in coordination chemistry
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