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TCO-PEG3-amine

CAT: 0804-HY-141178-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141178-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCO-PEG3-amine is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. TCO-PEG3-amine 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
1800507-93-0
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-peg3-amine.html
Purity
96.49
Solubility
H2O : ≥ 100 mg/mL
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCOCCN
Molecular Formula
C17H32N2O5
Molecular Weight
344.45
Precautions
H302, H315, H319, H335
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

(4E)-TCO-PEG3-amine
CAS Number1800507-93-0
PubChem CID146026021
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC17H32N2O5
Molecular Weight344.4
XLogP0.9
Topological Polar Surface Area92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity339
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCN
InChI
InChI=1S/C17H32N2O5/c18-8-10-21-12-14-23-15-13-22-11-9-19-17(20)24-16-6-4-2-1-3-5-7-16/h1-2,16H,3-15,18H2,(H,19,20)/b2-1-
InChIKey
AFIOVAPNQNBQKL-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of (4E)-TCO-PEG3-amine
CAS: 1800507-93-0
CID: 146026021
Formula: C17H32N2O5
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass344.23112213
Monoisotopic Mass344.23112213
Topological Polar Surface Area92 Ų
Heavy Atom Count24
Formal Charge0
Complexity339
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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