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Me-Tet-PEG9-NHS

CAT: 0931-T87932-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T87932-01Size:25 mg
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CAS Number
2143955-78-4
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Me-Tet-PEG9-NHS, an ADC linker featuring 9 PEG units, leverages its Tetrazine group to facilitate a specific inverse electron demand Diels-Alder reaction (iEDDA) with compounds containing TCO groups. This compound efficiently employs its structured design to enable precise chemical reactions essential in drug conjugate development.
Smiles
C(NC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(ON1C(=O)CCC1=O)=O)=O)C2=CC=C(C=C2)C=3N=NC(C)=NN3
Molecular Formula
C36H54N6O14
Molecular Weight
794.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Me-Tet-PEG9-NHS
CAS Number2143955-78-4
PubChem CID138393897
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC36H54N6O14
Molecular Weight794.8
XLogP-2.7
Topological Polar Surface Area227
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count35
Heavy Atom Count56
Formal Charge0
Complexity1050
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C36H54N6O14/c1-29-38-40-36(41-39-29)31-4-2-30(3-5-31)28-37-32(43)8-10-47-12-14-49-16-18-51-20-22-53-24-26-55-27-25-54-23-21-52-19-17-50-15-13-48-11-9-35(46)56-42-33(44)6-7-34(42)45/h2-5H,6-28H2,1H3,(H,37,43)
InChIKey
MESSTSPLSVJMAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Me-Tet-PEG9-NHS
CAS: 2143955-78-4
CID: 138393897
Formula: C36H54N6O14
MW: 794.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight794.8
XLogP3-2.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count35
Exact Mass794.36980042
Monoisotopic Mass794.36980042
Topological Polar Surface Area227 Ų
Heavy Atom Count56
Formal Charge0
Complexity1050
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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