Name: N-methyl-N'-(propargyl-PEG4)-Cy5
Rating: 5 (10 reviews)

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HIT ID:HIT212668116
Cas No:2107273-04-9
常用名:N-methyl-N'-(propargyl-PEG4)-Cy5
常用名:N-methyl-N'-(propargyl-PEG4)-Cy5
IUPAC:2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium chloride
InChI key:UMLSHKASMKAELZ-UHFFFAOYSA-M

分子式:C37H47ClN2O4
分子量:619.24
氢键供体数 (HBD):0
氢键受体数 (HBA):5
LogP:3.5973418
SMILES:[Cl-].C[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1|
SMILES:[Cl-].C[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1|

N-methyl-N'-(propargyl-PEG4)-Cy5 (chloride) is a PEG-based PROTAC linker suitable for PROTAC synthesis[1].

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