Description

1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid, 2-[(4-Isothiocyanatophenyl)Methyl]- is a bifunctional chelating agent, a derivative of the classic macrocyclic ligand DOTA. Its core value lies in its ability to form exceptionally stable complexes with a wide range of metal ions, particularly lanthanides and actinides, while the pendant isothiocyanate group provides a versatile handle for covalent conjugation to biomolecules. This product is essential for researchers and manufacturers in the fields of medical diagnostics, targeted radiotherapy, and advanced materials science, where stable and site-specific labeling is paramount.

Application

• Radiopharmaceuticals: Conjugation to antibodies, peptides, or small molecules for use in Positron Emission Tomography (PET) and Single-Photon Emission Computed Tomography (SPECT) imaging with isotopes like 68Ga, 64Cu, 111In, and 177Lu.
• Targeted Radionuclide Therapy (TRT): Development of therapeutic agents for cancer treatment, utilizing β-emitting isotopes such as 177Lu or 90Y chelated via the DOTA moiety.
• Magnetic Resonance Imaging (MRI) Contrast Agents: Synthesis of high-relaxivity, targeted contrast agents by complexing gadolinium (Gd3+) ions.
• In Vitro Diagnostics: Labeling of proteins, antibodies, or oligonucleotides for use in fluorescence assays, flow cytometry, or immunohistochemistry using lanthanide ions (e.g., Eu3+, Tb3+).
• Chemical Research: As a key intermediate in coordination chemistry and for studying metal-ligand interactions in macrocyclic systems.
• Industrial Catalysis: Potential use in creating immobilized metal catalysts for specialized organic synthesis.

Basic Information

Item	Details
Product Name	1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid, 2-[(4-Isothiocyanatophenyl)Methyl]-
CAS No.	127985-74-4
Molecular Formula	C26H34N6O8S
Molecular Weight	590.65 g/mol
Synonyms	p-SCN-Bn-DOTA; DOTA-p-NCS-Benzyl; 2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid; (R)-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid; DOTA-NCS; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid mono(4-isothiocyanatobenzyl)amide; Bz-SCN-DOTA; p-NCS-Bz-DOTA
EINECS	Contact for details

Quality Control

Our p-SCN-Bn-DOTA is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation (NMR, MS), to ensure it meets the high standards required for sensitive bioconjugation and radiochemistry applications. Certificates of Analysis (COA) detailing purity, residual solvent content, and other critical parameters are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 15-25°C. This compound is hygroscopic (moisture-sensitive); desiccate upon opening and seal tightly after use to prevent degradation. For long-term storage (over 12 months), consider storage at 2-8°C under inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Water Content (KF)	≤ 2.0 %
Heavy Metals	≤ 20 ppm
Functional Group (Isothiocyanate)	≥ 85% of theoretical (by titration or HPLC)

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