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CS-W001157 4
Total: USD 88.00

DOTA-tris(tBu)ester NHS ester

  • CAS No. 819869-77-7

  • Cat. No. CS-0133217
  • Molecule weight669.81
  • Purity≥98%
  • MDL No.MFCD26131244

*For research and further manufacturing use only, not for direct human use.

DOTA-tris(tBu)ester NHS ester|CS-0133217

Structure of 819869-77-7

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General Information

  • CAS No. 819869-77-7
  • Cat. No. CS-0133217
  • Purity ≥98%
  • MDL No. MFCD26131244
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₅₅N₅O₁₀
  • Molecular Weight 669.81
  • Synonym(s) None
  • SMILES O=C(ON1C(CCC1=O)=O)CN2CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC2

Description

DOTA-tris(tBu)ester NHS ester features a highly reactive NHS ester group enabling efficient conjugation to primary amines under physiological conditions. The three tert-butyl esters provide enhanced solubility and stability, while the macrocyclic DOTA framework offers strong chelation for paramagnetic or radiometal ions. This derivative simplifies bioconjugation workflows in radiolabeling and molecular imaging applications.

Application

DOTA-tris(tBu)ester NHS ester serves as a stable, bench-ready reagent for site-specific conjugation of DOTA chelating units to primary amines on biomolecules. Its tert-butyl ester groups enhance solubility and stability during storage, while the NHS ester functionality enables efficient coupling under mild aqueous conditions. This derivative facilitates the preparation of radiolabeled imaging agents and targeted therapeutics with high chelator incorporation efficiency and minimal side reactions.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   155.54
  • LogP   0.8403
  • H_Acceptors   14
  • H_Donors   0
  • Rotatable_Bonds   9

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