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Chemical structure of Methyltetrazine-DBCO

GC66957

Methyltetrazine-DBCO

Also known as 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-1-[3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propylamino]-1-oxopropane-2-sulfonic acid

Methyltetrazine-DBCO is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1802238-48-7MW683.73FormulaC34H33N7O7S
CAS number
1802238-48-7
Molecular weight
683.73
Formula
C34H33N7O7S
InChIKey
YYYPWVPKWWTZRY-UHFFFAOYSA-N
Catalogue number
GC66957
Brand
GLPBIO
Computed properties PubChem CID 86580461 · XLogP 1.1 · TPSA 202 Ų · H-bond donors 3
XLogP
1.1
TPSA
202 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
49

SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCNC(=O)C(CNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)S(=O)(=O)O

Computed descriptors from PubChem (CID 86580461), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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