| Identification | Back 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 Properties | Back 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 Information | Back 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]. |
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