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TCO-PEG4-acid

CAT: 0804-HY-141159-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141159-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCO-PEG4-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. TCO-PEG4-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
1802913-21-8
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-peg4-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C20H35NO8
Molecular Weight
417.49
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-PEG4-Acid
CAS Number1802913-21-8
PubChem CID145708536
IUPAC Name3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC20H35NO8
Molecular Weight417.5
XLogP1.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count29
Formal Charge0
Complexity458
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C20H35NO8/c22-19(23)8-10-25-12-14-27-16-17-28-15-13-26-11-9-21-20(24)29-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17H2,(H,21,24)(H,22,23)/b2-1-
InChIKey
PSNKSDUNMXNXDE-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG4-Acid
CAS: 1802913-21-8
CID: 145708536
Formula: C20H35NO8
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass417.23626707
Monoisotopic Mass417.23626707
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity458
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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T17015-01TCO-PEG4-acid
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MBS5770043(S)-TCO-PEG4-acid
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