Name: DSPE-PEG46-Folate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214434564
Cas No:
常用名:DSPE-PEG46-Folate
IUPAC:2-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-4-{[137-({[2-({[(2S)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)ethyl]carbamoyl}oxy)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135-pentatetracontaoxa-137n-1-yl]carbamoyl}butanoic acid
IUPAC:2-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-4-{[137-({[2-({[(2S)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)ethyl]carbamoyl}oxy)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105,108,111,114,117,120,123,126,129,132,135-pentatetracontaoxa-137n-1-yl]carbamoyl}butanoic acid
InChI key:UNQSXAFPYZOTIN-APAVQLJASA-N

分子式:C153H284N9O60P
分子量:3240.932
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
SMILES:[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC

DSPE-PEG46-Folate 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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