Description

1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid, Mono[(4-Isothiocyanatophenyl)Methyl] Ester is a bifunctional chelating agent derivative of the macrocyclic DOTA ligand, engineered for the stable conjugation of metal ions to biomolecules. This compound is critical for creating advanced diagnostic and therapeutic radiopharmaceuticals due to its high kinetic and thermodynamic stability with lanthanide and actinide metal ions. It is primarily needed by research institutions, pharmaceutical developers, and CROs specializing in molecular imaging, targeted radiotherapy, and immunoassay development.

Application

• Radiopharmaceutical Precursor: Key intermediate for synthesizing PET (Positron Emission Tomography) and SPECT (Single-Photon Emission Computed Tomography) imaging agents labeled with isotopes like 68Ga, 177Lu, 111In, and 90Y.
• Targeted Radionuclide Therapy (TRT): Conjugation to antibodies, peptides, or small molecules for delivering therapeutic radionuclides directly to cancer cells.
• In Vitro Diagnostics: Development of time-resolved fluorescence (TRF) immunoassays by conjugating to Eu3+ or Tb3+ complexes.
• MRI Contrast Agent Research: Chelation of gadolinium (Gd3+) for the development of next-generation magnetic resonance imaging contrast agents.
• Bioconjugation & Probe Development: The reactive isothiocyanate (-NCS) group enables stable thiourea linkage to primary amines on proteins, antibodies, or other targeting vectors.
• Chemical Biology & Sensing: Used in constructing metal-based biosensors and molecular probes for detecting specific biological analytes.

Basic Information

Item	Details
Product Name	1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid, Mono[(4-Isothiocyanatophenyl)Methyl] Ester
CAS No.	840519-31-5
Molecular Formula	C29H35N7O8S
Molecular Weight	641.70 g/mol
Synonyms	DOTA-NCS; p-SCN-Bn-DOTA; 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid, 1-[(4-isothiocyanatophenyl)methyl] ester; DOTA Mono-NHS ester (isothiocyanate derivative); 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid mono(4-isothiocyanatobenzyl) ester; Bn-NCS-DOTA; DOTA-Benzyl-isothiocyanate
EINECS	Contact for details

Quality Control

Our 1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid, Mono[(4-Isothiocyanatophenyl)Methyl] Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation, to ensure it meets the high standards required for sensitive bioconjugation and radiopharmaceutical applications. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability and compliance with your research or cGMP development needs.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below under desiccant (e.g., in a sealed container with silica gel) due to its hygroscopic and moisture-sensitive nature. For long-term storage, keep under an inert atmosphere (argon or nitrogen) to preserve the reactivity of the isothiocyanate group. Allow the sealed vial to equilibrate to room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 2.0%
Solubility	Soluble in DMSO, DMF; Slightly soluble in water

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.