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Chemical structure of Tetrazine-Ph-NHCO-C3-NHS ester

GC63948

Tetrazine-Ph-NHCO-C3-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 5-oxo-5-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]pentanoate

Tetrazine-Ph-NHCO-C3-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1244040-64-9MW398.37FormulaC18H18N6O5
CAS number
1244040-64-9
Molecular weight
398.37
Formula
C18H18N6O5
Solubility
DMSO : 100 mg/mL (251·02 mM; Need ultrasonic)
InChIKey
QDUUJWMNSUXICN-UHFFFAOYSA-N
Catalogue number
GC63948
Brand
GLPBIO
Computed properties PubChem CID 87380657 · XLogP -1.4 · TPSA 144 Ų · H-bond donors 1
XLogP
-1.4
TPSA
144 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
29

SMILES C1CC(=O)N(C1=O)OC(=O)CCCC(=O)NCC2=CC=C(C=C2)C3=NN=CN=N3

Computed descriptors from PubChem (CID 87380657), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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