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TCO-PEG4-NHS ester

CAT: 0804-HY-141167A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141167A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCO-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. TCO-PEG4-NHS ester 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
1621096-79-4
UNSPSC
12352005
Hazard Statement
H316, H341, H350, H371, H373, H412
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e-tco-peg4-nhs-ester.html
Purity
99.16
Solubility
10 mM in DMSO
Smiles
O=C(OC1CC/C=C/CCC1)NCCOCCOCCOCCOCCC(ON2C(CCC2=O)=O)=O
Molecular Formula
C24H38N2O10
Molecular Weight
514.57
Precautions
H316, H341, H350, H371, H373, H412
References & Citations
[1]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-1013.
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

TCO-PEG4-NHS (contains 6% Dichloromethane at maximum)
CAS Number1621096-79-4
PubChem CID118338101
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC24H38N2O10
Molecular Weight514.6
XLogP0.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count36
Formal Charge0
Complexity699
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1-
InChIKey
ZKPMRASGLDBKPF-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG4-NHS (contains 6% Dichloromethane at maximum)
CAS: 1621096-79-4
CID: 118338101
Formula: C24H38N2O10
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass514.25264541
Monoisotopic Mass514.25264541
Topological Polar Surface Area139 Ų
Heavy Atom Count36
Formal Charge0
Complexity699
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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