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Me-Tet-PEG5-NHS

CAT: 0804-HY-156490Size: 1 EachDry Ice: NoHazardous: No
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Description
Me-Tet-PEG5-NHS is an ADC Linker containing 5 PEG units. Me-Tet-PEG5-NHS can utilize its own Tetrazine group to undergo a specific inverse electron demand Diels-Alder reaction (iEDDA) with compounds with TCO groups.
CAS Number
2096446-25-0
UNSPSC
12352203
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/me-tet-peg5-nhs.html
Solubility
10 mM in DMSO
Smiles
O=C(CCOCCOCCOCCOCCOCCC(NCC1=CC=C(C2=NN=C(C)N=N2)C=C1)=O)ON3C(CCC3=O)=O
Molecular Formula
C28H38N6O10
Molecular Weight
618.64
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

Me-Tet-PEG5-NHS
CAS Number2096446-25-0
PubChem CID91757753
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC28H38N6O10
Molecular Weight618.6
XLogP-2.1
Topological Polar Surface Area190
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Heavy Atom Count44
Formal Charge0
Complexity852
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C28H38N6O10/c1-21-30-32-28(33-31-21)23-4-2-22(3-5-23)20-29-24(35)8-10-39-12-14-41-16-18-43-19-17-42-15-13-40-11-9-27(38)44-34-25(36)6-7-26(34)37/h2-5H,6-20H2,1H3,(H,29,35)
InChIKey
WIMBDRIDFKMKOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Me-Tet-PEG5-NHS
CAS: 2096446-25-0
CID: 91757753
Formula: C28H38N6O10
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP3-2.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Exact Mass618.26494143
Monoisotopic Mass618.26494143
Topological Polar Surface Area190 Ų
Heavy Atom Count44
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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