Name: N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
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HIT ID:HIT212668115
Cas No:2107273-50-5
常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
别名:n-methyl-n-methyl-o-m-peg4-o-propargyl-peg4-cy5
别名:n-methyl-n-methyl-o-m-peg4-o-propargyl-peg4-cy5
IUPAC:1,3,3-trimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-2-{5-[1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3H-indol-1-ium chloride
IUPAC:1,3,3-trimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-2-{5-[1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3H-indol-1-ium chloride
InChI key:XQTUJSZRBUKFNO-UHFFFAOYSA-M

分子式:C47H67ClN2O10
分子量:855.51
氢键供体数 (HBD):0
氢键受体数 (HBA):11
LogP:3.0940971
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(C)C(=CC=CC=CC3=[N+](C)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |w:26.25,24.23,22.21,c:26|
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(C)C(=CC=CC=CC3=[N+](C)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |w:26.25,24.23,22.21,c:26|

N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5 is a polyethylene glycol (PEG)-based linker commonly employed in the synthesis of proteolysis-targeting chimeras (PROTACs)[1].

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