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Methyltetrazine-PEG5-triethoxysilane

CAT: 0013-GTR19215638-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215638-01Size:100 mg
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Description
This compound is a triethoxysilane-functionalized PEG linker designed for constructing PROTAC molecules. Its application facilitates the synthesis of bifunctional degraders for targeted protein degradation research in both cellular and biochemical assays.
CAS Number
2353410-01-0
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
O (CCOCCOCCOCCOCCC (NCCC[Si] (OCC) (OCC) OCC) =O) C1=CC=C (C=C1) C=2N=NC (C) =NN2
Molecular Formula
C29H49N5O9Si
Molecular Weight
639.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyltetrazine-PEG5-triethoxysilane
CAS Number2353410-01-0
PubChem CID134827753
IUPAC Name3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)propanamide
Molecular FormulaC29H49N5O9Si
Molecular Weight639.8
Topological Polar Surface Area155
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Heavy Atom Count44
Formal Charge0
Complexity685
SMILES
CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOC1=CC=C(C=C1)C2=NN=C(N=N2)C)(OCC)OCC
InChI
InChI=1S/C29H49N5O9Si/c1-5-41-44(42-6-2,43-7-3)24-8-14-30-28(35)13-15-36-16-17-37-18-19-38-20-21-39-22-23-40-27-11-9-26(10-12-27)29-33-31-25(4)32-34-29/h9-12H,5-8,13-24H2,1-4H3,(H,30,35)
InChIKey
KTMPHUUZMIOJLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyltetrazine-PEG5-triethoxysilane
CAS: 2353410-01-0
CID: 134827753
Formula: C29H49N5O9Si
MW: 639.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Exact Mass639.32995469
Monoisotopic Mass639.32995469
Topological Polar Surface Area155 Ų
Heavy Atom Count44
Formal Charge0
Complexity685
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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