Name: Mal-PEG36-NHS ester
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212667955
Cas No:
常用名:Mal-PEG36-NHS ester
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108-hexatriacontaoxa-111n-111-oate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108-hexatriacontaoxa-111n-111-oate
InChI key:BSBCTOQFTMMUEA-UHFFFAOYSA-N

分子式:C86H159N3O43
分子量:1923.196
氢键供体数 (HBD):1
氢键受体数 (HBA):42
LogP:-3.8870342
SMILES:O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |c:7|
SMILES:O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |c:7|

Mal-PEG36-NHS ester is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.

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