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170908-81-3

中文名稱(chēng) 1,4,7,10-四氮雜環(huán)十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯
英文名稱(chēng) 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS 170908-81-3
分子式 C20H31N5O10
分子量 501.49
MOL 文件 170908-81-3.mol
更新日期 2024/10/30 22:19:55
170908-81-3 結(jié)構(gòu)式 170908-81-3 結(jié)構(gòu)式

基本信息

中文別名
DOTA單-N-羥基琥珀酰亞胺酯
DOTA-NHS ESTER,羥基琥珀酰亞胺-四氮雜環(huán)十二烷四乙酸
1,4,7,10-四氮雜環(huán)十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯
1,4,7,10-四氮雜環(huán)十二烷-1,4,7,10-四乙酸 1-(2,5-二氧代-1-吡咯烷基)酯
英文別名
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)
所屬類(lèi)別
有機(jī)原料:羧酸酯及其衍生物

物理化學(xué)性質(zhì)

沸點(diǎn)743.7±70.0 °C(Predicted)
密度1.51±0.1 g/cm3(Predicted)
溶解度DMSO: 50 mg/mL (99.70 mM)
酸度系數(shù)(pKa)2.46±0.10(Predicted)
形態(tài)Solid
顏色White to off-white
InChIInChI=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)
InChIKeyXSVWFLQICKPQAA-UHFFFAOYSA-N
SMILESN1(CC(ON2C(=O)CCC2=O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1

常見(jiàn)問(wèn)題列表

生物活性
DOTA-NHS-ester 是用于 affibody 分子的交聯(lián)劑 (linker),可用于小型動(dòng)物正電子發(fā)射斷層掃描 (PET),單光子發(fā)射計(jì)算機(jī)斷層掃描 (SPECT) 和 CT 掃描。DOTA-NHS-ester 可用于標(biāo)記放射研究劑或者成像探針以檢測(cè)腫瘤。
體外研究

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.

體內(nèi)研究

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.

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