Name: DOTA-NHS-ester hexafluorophosphate TFA
Rating: 5 (10 reviews)

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HIT ID:HIT219590822
Cas No:1823122-52-6
常用名:DOTA-NHS-ester hexafluorophosphate TFA
常用名:DOTA-NHS-ester hexafluorophosphate TFA
IUPAC:hydrogen 2-[4,7-bis(carboxymethyl)-10-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid hexafluoro-lambda5-phosphanuide trifluoroacetic acid
IUPAC:hydrogen 2-[4,7-bis(carboxymethyl)-10-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid hexafluoro-lambda5-phosphanuide trifluoroacetic acid
InChI key:NGLVUOKEPPQYJQ-UHFFFAOYSA-O

分子式:C22H33F9N5O12P
分子量:761.488
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H+].OC(=O)C(F)(F)F.F[P-](F)(F)(F)(F)F.OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(O)=O)CC1
SMILES:[H+].OC(=O)C(F)(F)F.F[P-](F)(F)(F)(F)F.OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(O)=O)CC1

DOTA-NHS-ester (hexafluorophosphate TFA)是一种双功能螯合剂 (Bifunctional Chelator;BFC)，它是大环 DOTA 的衍生物，专用于肿瘤预靶向。适合多肽和放射性核素的偶联应用。

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