127985-74-4

Basic information

• Product Name: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-
• Synonyms: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-;p-SCN-Bn-DOTA(B-205);p-NCS-Bn-DOTA
• CAS NO: 127985-74-4
• Molecular Formula: C₂₄H₃₃N₅O₈S
• Molecular Weight: 551.61
• Mol File: 127985-74-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 826.9±65.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• PKA: 2.46±0.10(Predicted)
• CAS DataBase Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-(127985-74-4)
• EPA Substance Registry System: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-(127985-74-4)

Safety Data

• Hazardous Substances Data: 127985-74-4(Hazardous Substances Data)

Usage

Description

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-, also known as p-SCN-Bn-DOTA, is a bifunctional chelator with a complex chemical structure. It is designed to form stable complexes with metal ions, particularly gadolinium, which is useful in various medical applications.

Uses

Used in Medical Imaging:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]is used as a bifunctional chelator for the preparation of gadolinium complexes. These complexes serve as MRI blood contrast agents, enhancing the visibility of blood vessels and other structures in magnetic resonance imaging (MRI) scans. The application reason is that p-SCN-Bn-DOTA forms stable complexes with gadolinium, which can improve the quality of MRI images and aid in the diagnosis of various medical conditions.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]is used as a key component in the development of novel drug delivery systems. The application reason is its ability to chelate metal ions, which can be utilized in the design of targeted drug delivery systems that can improve the efficacy and bioavailability of therapeutic agents.
Used in Research and Development:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]is also used in research and development for the synthesis of new compounds and materials with potential applications in various fields, including medicine, biotechnology, and materials science. The application reason is its unique chemical properties and versatility in forming complexes with different metal ions, which can be exploited to create new compounds with specific functionalities.

Downstream Products

• 654651-28-2 Gd(N₄C₈H₁₅(CH₂COO)4CH₂C₆H₄NCS)^(1-) 
• 1300727-14-3 2-(2-nitroimidazolyl)ethylamine-SCN-Bz-DOTA 
• 1242439-61-7 C₅₃H₉₃N₇O₂₁S 

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