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

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结构编辑

类似物检索

HIT ID:HIT212669030
Cas No:1802238-48-7
常用名:Methyltetrazine-DBCO
IUPAC:2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-1-({3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propyl}carbamoyl)ethane-1-sulfonic acid
IUPAC:2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-1-({3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propyl}carbamoyl)ethane-1-sulfonic acid
InChI key:YYYPWVPKWWTZRY-UHFFFAOYSA-N

分子式:C34H33N7O7S
分子量:683.74
氢键供体数 (HBD):3
氢键受体数 (HBA):11
LogP:0.100971416
SMILES:Cc1nnc(nn1)-c1ccc(OCCCNC(=O)C(CNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)S(O)(=O)=O)cc1
SMILES:Cc1nnc(nn1)-c1ccc(OCCCNC(=O)C(CNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)S(O)(=O)=O)cc1

Methyltetrazine-DBCO is a non-cleavable linker utilized in the synthesis of antibody-drug conjugates (ADCs)[1].

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