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819869-77-7

819869-77-7 Structure

819869-77-7 Structure
IdentificationBack Directory
[Name]

DOTA-mono-NHS-tris(t-Bu ester)(B-270)
[CAS]

819869-77-7
[Synonyms]

DOTA-(COOt-Bu)3-NHS
DOTA-tris-tBu-ester NHS
DOTA tris(tBu)ester NHS ester
DOTA-Mono-NHS-tris(t-Bu ester)
DOTA-mono-NHS-tris(t-Butyl ester)
DOTA-mono-NHS-tris(t-Bu ester)(B-270)
2-[1, 4, 7, 10-Tetraazacyclododecane-4, 7, 10-tris(t-butyl acetate)I-pentanedioic acid-1-t-butyl ester
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 4,7,10-tris(1,1-dimethylethyl) 1-(2,5-dioxo-1-pyrrolidinyl) ester
Tri-tert-butyl 2,2'',2''''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-, tris(1,1-diMethylethyl) ester
[Molecular Formula]

C32H55N5O10
[MOL File]

819869-77-7.mol
[Molecular Weight]

669.81
Chemical PropertiesBack Directory
[Boiling point ]

686.8±65.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C, protect from light
[solubility ]

DMSO, DMF, acetonitrile
[form ]

Solid
[pka]

5.49±0.20(Predicted)
[color ]

White to off-white
[Appearance]

white solid
[InChIKey]

XIICJKXKEDCZEE-UHFFFAOYSA-N
[SMILES]

N1(CC(ON2C(=O)CCC2=O)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P302+P352
Hazard InformationBack Directory
[Description]

DOTA (dodecane tetraacetic acid, also known as tetraxetan) is a complexing agent, especially for lanthanide ions. DOTA-NHS ester is a bifunctional linker containing chelating and N-hydroxysuccinimide (NHS) ester groups for conjugation with amine-containing biomolecules.


DOTA-NHS ester can be used to label radiotherapeutic agents or imaging probes and detect labeled tumors with PET, SPECT, and CT methods.

[Uses]

DOTA-tris(tBu)ester NHS ester is a derivative of DOTA for the labeling of peptides and antibodies[1].
[storage]

-20°C, protect from light
[References]

[1] W?ngler C, et, al. Improved syntheses and applicability of different DOTA building blocks for multiply derivatized scaffolds. Bioorg Med Chem. 2008 Mar 1; 16(5): 2606-16. DOI:10.1016/j.bmc.2007.11.044
Spectrum DetailBack Directory
[Spectrum Detail]

DOTA-mono-NHS tris(t-Bu ester)(819869-77-7)1HNMR
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