Name: Methyltetrazine-PEG4-SS-PEG4-methyltetrazine
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HIT ID:HIT212668020
Cas No:
常用名:Methyltetrazine-PEG4-SS-PEG4-methyltetrazine
常用名:Methyltetrazine-PEG4-SS-PEG4-methyltetrazine
IUPAC:N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}-1-{3-[(2-{[14-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)-3,6,9,12-tetraoxatetradecan-1-yl]carbamoyl}ethyl)disulfanyl]propanamido}-3,6,9,12-tetraoxapentadecan-15-amide
IUPAC:N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}-1-{3-[(2-{[14-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)-3,6,9,12-tetraoxatetradecan-1-yl]carbamoyl}ethyl)disulfanyl]propanamido}-3,6,9,12-tetraoxapentadecan-15-amide
InChI key:LNFPCJRFSFYHJU-UHFFFAOYSA-N

分子式:C48H70N12O12S2
分子量:1071.28
氢键供体数 (HBD):4
氢键受体数 (HBA):20
LogP:-1.225534
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCSSCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc2ccc(cc2)-c2nnc(C)nn2)cc1
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCSSCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc2ccc(cc2)-c2nnc(C)nn2)cc1

Methyltetrazine-PEG4-SS-PEG4-methyltetrazine is a cleavable 8 unit polyethylene glycol (PEG) linker, employed for the synthesis of antibody-drug conjugates (ADCs)[1].

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