1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯
| 中文名称 | 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯 |
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| 中文同义词 | 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯;DOTA单-N-羟基琥珀酰亚胺酯;1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯;DOTA-NHS ESTER,羟基琥珀酰亚胺-四氮杂环十二烷四乙酸;羟基琥珀酰亚胺-四氮杂环十二烷四乙酸;化合物DOTA-?NHS-?ESTER;DOTA-N-羟基琥珀酰亚胺;2,2',2''-(10-(2-((2,5-二氧代吡咯烷-1-基)氧基)-2-氧代乙基)-1,4,7,10-四氮杂环十二烷-1,4,7-三基)三乙酸 |
| 英文名称 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester |
| 英文同义词 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester;DOTA-NHS-ester(B-280);DOTA mono-N-hydroxysuccinimide ester;1, 4, 7, 10-Tetraazacyclododecana-1, 4, 7-tris-tert-butyl acetate-10-N-a-Fmoc-N-e-acetamido-L-lysine);DOTA mono-NHS ester;2,2',2''-(10-(2-((2,5-Dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid;DOTA-NHS-ester;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-2-pyrrolidinyl) ester |
| CAS号 | 170908-81-3 |
| 分子式 | C20H31N5O10 |
| 分子量 | 501.49 |
| EINECS号 | |
| 相关类别 | 氨基酸衍生物;放射显影多肽产品;基准试剂;分析试剂;阳离子脂质原料;螯合剂;离子造影剂;优势产品 |
| Mol文件 | 170908-81-3.mol |
| 结构式 |  |
1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯 性质
| 沸点 | 743.7±70.0 °C(Predicted) |
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| 密度 | 1.51±0.1 g/cm3(Predicted) |
| 溶解度 | 二甲基亚砜：50 mg/mL（99.70 mM） |
| 酸度系数(pKa) | 2.46±0.10(Predicted) |
| 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 |
DOTA-NHS-ester can be used to modify human serum albumin (HSA) to produce DOTA-HSA. And DOTA-HSA is furtherly modified by Sulfo-SMCC (HY-D0975) to obtain DOTA-HSA-SMCC. DOTA-HSA-SMCC is conjugated to ZHER2:342 and the final product is DOTA-HSA-Z HER2 :342 . In a cell uptake assay, DOTA-HSA-Z HER2 :342 is labeled by 64 Cu, 64 Cu-DOTA-HSA-Z HER2 :342 (0.5-2 hours) slowly accumulates in the SKOV3 cells and reaches 0.71% of the applied activity at 0.5 h and the uptake increased to 1.58% at 2 h.
In a microPET images of a mouse bearing SKOV3 tumor, 64 Cu-DOTA-HSA-Z HER2 :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.