Name: Methyltetrazine-PEG12-DBCO
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212668012
Cas No:
常用名:Methyltetrazine-PEG12-DBCO
IUPAC:4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{35-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl}-4-oxobutanamide
IUPAC:4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{35-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl}-4-oxobutanamide
InChI key:WAFZSKDTDFPQHS-UHFFFAOYSA-N

分子式:C52H70N6O14
分子量:1003.16
氢键供体数 (HBD):1
氢键受体数 (HBA):18
LogP:1.685242
SMILES:Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)cc1
SMILES:Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)cc1

Methyltetrazine-PEG12-DBCO is a polyethylene glycol (PEG)-based linker compound utilized in the synthesis of proteolysis targeting chimeras (PROTACs)[1].

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