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2-Aminoethyl-mono-amide-DOTA-tris(tBu ester)

  • CAS No. 173308-19-5

  • Cat. No. CS-0018127
  • Purity≥95%
  • MDL No.MFCD30533300

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

2-Aminoethyl-mono-amide-DOTA-tris(tBu ester)|CS-0018127

Structure of 173308-19-5

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General Information

  • CAS No. 173308-19-5
  • Cat. No. CS-0018127
  • Purity ≥95%
  • MDL No. MFCD30533300
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₅₈N₆O₇
  • Molecular Weight 614.82
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(NCCN)=O)CCN(CC(OC(C)(C)C)=O)CC1

Description

2-Aminoethyl-mono-amide-DOTA-tris(tBu ester) features a DOTA scaffold with three tert-butyl ester groups and a pendant aminoethyl amide, enabling selective metal chelation under physiological conditions. This derivative offers enhanced solubility and stability in organic media, facilitating efficient conjugation workflows for radiolabeling applications.

Application

2-Aminoethyl-mono-amide-DOTA-tris(tBu ester) serves as a versatile bifunctional chelator intermediate, enabling site-specific conjugation via its primary amine while preserving three tert-butyl ester groups for subsequent deprotection and metal complexation. Its bench-stable tBu esters facilitate purification and handling, and the DOTA core provides high-affinity coordination for lanthanide and transition metal ions in radiolabeling and imaging applications.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H413
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   146.98
  • LogP   0.308
  • H_Acceptors   12
  • H_Donors   2
  • Rotatable_Bonds   10

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