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TCO-PEG2-amine

CAT: 0804-HY-141177-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141177-01Size:25 mg
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Description
TCO-PEG2-amine is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. TCO-PEG2-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
2141981-87-3
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-peg2-amine.html
Purity
97.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCN
Molecular Formula
C15H28N2O4
Molecular Weight
300.39
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
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

TCO-PEG2-amine
CAS Number2141981-87-3
PubChem CID146026020
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
Molecular FormulaC15H28N2O4
Molecular Weight300.39
XLogP1
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity297
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCN
InChI
InChI=1S/C15H28N2O4/c16-8-10-19-12-13-20-11-9-17-15(18)21-14-6-4-2-1-3-5-7-14/h1-2,14H,3-13,16H2,(H,17,18)/b2-1-
InChIKey
XCPPYCGUCZZMQS-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG2-amine
CAS: 2141981-87-3
CID: 146026020
Formula: C15H28N2O4
MW: 300.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.39
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass300.20490738
Monoisotopic Mass300.20490738
Topological Polar Surface Area82.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity297
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