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TCO-PEG8-acid

CAT: 0804-HY-141161Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141161Size:1 Each
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Description
TCO-PEG8-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. TCO-PEG8-acid is a click chemistry reagent, it contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups.
CAS Number
2353410-03-2
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tco-peg8-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C28H51NO12
Molecular Weight
593.70
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Wang Y, et al. Degradation of proteins by PROTACs and other strategies. Acta Pharm Sin B. 2020 Feb;10 (2) :207-238.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

TCO-PEG8-acid
CAS Number2353410-03-2
PubChem CID146026007
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC28H51NO12
Molecular Weight593.7
XLogP0.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count41
Formal Charge0
Complexity637
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C28H51NO12/c30-27(31)8-10-33-12-14-35-16-18-37-20-22-39-24-25-40-23-21-38-19-17-36-15-13-34-11-9-29-28(32)41-26-6-4-2-1-3-5-7-26/h1-2,26H,3-25H2,(H,29,32)(H,30,31)/b2-1-
InChIKey
LIPCJNZAKQKTRV-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG8-acid
CAS: 2353410-03-2
CID: 146026007
Formula: C28H51NO12
MW: 593.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.7
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass593.34112606
Monoisotopic Mass593.34112606
Topological Polar Surface Area149 Ų
Heavy Atom Count41
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T18779-01TCO-PEG8-acid
T18782-01TCO-PEG8-TCO
T87806-01(R, E) -TCO-PEG8-acid
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T18783-01TCO-PEG8-TFP ester
MBS5771641TCO-PEG8-NHS ester
T87821-01(R, E) -TCO-PEG8-NHS ester
T40992-01Acid-PEG8-S-S-PEG8-acid
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