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170908-81-3

170908-81-3 Structure

170908-81-3 Structure
IdentificationBack Directory
[Name]

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
[CAS]

170908-81-3
[Synonyms]

DOTA-NHS-ester
DOTA mono-NHS ester
DOTA-NHS-ester(B-280)
DOTA mono-N-hydroxysuccinimide ester
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
1, 4, 7, 10-Tetraazacyclododecana-1, 4, 7-tris-tert-butyl acetate-10-N-a-Fmoc-N-e-acetamido-L-lysine)
[Molecular Formula]

C20H31N5O10
[MDL Number]

MFCD23381190
[MOL File]

170908-81-3.mol
[Molecular Weight]

501.49
Chemical PropertiesBack Directory
[Boiling point ]

743.7±70.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C, sealed storage, away from moisture
[solubility ]

DMSO: 50 mg/mL (99.70 mM)
[form ]

Solid
[pka]

2.46±0.10(Predicted)
[color ]

White to off-white
[Appearance]

white powder
[InChI]

InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
[InChIKey]

XSVWFLQICKPQAA-UHFFFAOYSA-N
[SMILES]

N1(CC(ON2C(=O)CCC2=O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
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-NHS-ester is a bifunctional chelator.
[in vivo]

In a microPET images of a mouse bearing SKOV3 tumor, 64Cu-DOTA-HSA-ZHER2:342 is injected to the mouse tail. microPET images of a mouse bearing SKOV3 tumor at 1, 4, 24 and 48 h after tail vein injection.The SKOV3 tumor is visible with a low tumor-to-background contrast at 1 h post-injection (p.i.), but with a very good tumor-to-background contrast at 4 and 24 h p.i.Quantification analysis reveals that the SKOV3 tumor uptake values increases with time and are found to be 5.63%, 9.98%, 14.34% and 14.12% ID/g at 1, 4, 24, and 48 h, respectively[1].

Spectrum DetailBack Directory
[Spectrum Detail]

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester(170908-81-3)1HNMR
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