Name: Mal-PEG12-DSPE
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667947
Cas No:
常用名:Mal-PEG12-DSPE
IUPAC:[2,3-bis(octadecanoyloxy)propoxy](2-{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-dodecaoxanonatriacontan-39-amido}ethoxy)phosphinic acid
IUPAC:[2,3-bis(octadecanoyloxy)propoxy](2-{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-dodecaoxanonatriacontan-39-amido}ethoxy)phosphinic acid
InChI key:NSUQHFQCPXYHBT-UHFFFAOYSA-N

分子式:C75H140N3O24P
分子量:1498.916
氢键供体数 (HBD):3
氢键受体数 (HBA):20
LogP:11.151764
SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC |c:79|
SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC |c:79|

Mal-PEG12-DSPE 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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