Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

CAS: 137076-54-1

Ref. 3D-FT49920

Product Information

• Name: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
• Synonyms: DOTA(OBu-t)3
• Brand: Biosynth
• Description: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (TBA) is a gadolinium chelate that is used as a contrast agent in magnetic resonance imaging. TBA binds to the malignant cells and shows an increase in uptake of the gadolinium contrast agent. TBA has been shown to be effective in the diagnosis of cancerous brain tissue and is also able to detect cancer cells in animals. TBA has shown some efficacy against bacterial infection by binding to the cell membrane and inhibiting protein synthesis. It is also able to act synergistically with antibiotics such as penicillin or ampicillin to kill bacteria more effectively.

Chemical properties

• Molecular weight: 572.73 g/mol
• Formula: C₂₈H₅₂N₄O₈
• Purity: Min. 95%
• Color/Form: White Powder
• InChI: InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
• InChI key: InChIKey=RVUXZXMKYMSWOM-UHFFFAOYSA-N
• SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1