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Merck
CN

75061

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
NACRES:
NA.22
PubChem Substance ID:
57652545
UNSPSC Code:
12352108
MDL number:
MFCD02259697

Key Documents

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Product Name

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, ≥95.0% (CHN)

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)

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 key

RVUXZXMKYMSWOM-UHFFFAOYSA-N

assay

≥95.0% (CHN)

form

lumps

functional group

carboxylic acid
ester

Quality Level

100

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCP1068
BCCN3326
BCCK0587
BCCG5438
BCBS6086V

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Synthesis and cytotoxicity evaluation of DOTA-conjugates of ursolic acid
Kahnt, M, et al.
Molecules (Basel), 24(12), 2254-2254 (2019)
Benjamin Poret et al.
Biomolecules, 10(3) (2020-03-25)
Overexpression of G protein-coupled receptors (GPCRs) in tumours is widely used to develop GPCR-targeting radioligands for solid tumour imaging in the context of diagnosis and even treatment. The human vasoactive neuropeptide urotensin II (hUII), which shares structural analogies with somatostatin
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)
Preparation and evaluation of ZD2 peptide 64Cu-DOTA conjugate as a positron emission tomography probe for detection and characterization of prostate cancer
Han Z, et al.
ACS Omega, 4(1), 1185-1190 (2019)
Lubinda Mbundi et al.
Nanomaterials (Basel, Switzerland), 8(6) (2018-06-06)
The control of osteoblast/osteoclast cross-talk is crucial in the bone remodelling process and provides a target mechanism in the development of drugs for bone metabolic diseases. Osteoprotegerin is a key molecule in this biosignalling pathway as it inhibits osteoclastogenesis and

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