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75061

Sigma-Aldrich

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

≥95.0% (CHN)

Synonym(s):

DOTA-tri-t-Bu-ester

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About This Item

Empirical Formula (Hill Notation):
C28H52N4O8
CAS Number:
137076-54-1
Molecular Weight:
572.73
MDL number:
MFCD02259697
UNSPSC Code:
12352108
PubChem Substance ID:
57652545
NACRES:
NA.22

Assay

≥95.0% (CHN)

form

lumps

SMILES string

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(O)=O

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

RVUXZXMKYMSWOM-UHFFFAOYSA-N

Related Categories

Application

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (tri BOC-DOTA) can be employed as a reactant to prepare:
  • Gadolinium ion functionalized with DOTA-LAE (lactobionic acid-ethylenediamine), which is used as a contrast agent for magnetic resonance imaging (MRI).
  • DOTA-conjugates of ursolic acid and ZD2 peptide 64Cu-DOTA conjugates.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Han Z, et al.
ACS Omega, 4(1), 1185-1190 (2019)
Synthesis of a gadolinium based-macrocyclic MRI contrast agent for effective cancer diagnosis
Jeong Y and Na K
Biomaterials research, 22(1), 17-17 (2018)
Synthesis and cytotoxicity evaluation of DOTA-conjugates of ursolic acid
Kahnt, M, et al.
Molecules (Basel), 24(12), 2254-2254 (2019)
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