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NH2-PEG3-C1-Boc

CAT: 0804-HY-128801-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128801-01Size:100 mg
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Description
NH2-PEG3-C1-Boc (PROTAC Linker 5) is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].
CAS Number
189808-70-6
Product Name Alternative
PROTAC Linker 5
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/protac-linker-5.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NCCOCCOCCOCC(OC(C)(C)C)=O
Molecular Formula
C12H25NO5
Molecular Weight
263.33
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Amino-PEG3-CH2CO2-t-butyl ester
CAS Number189808-70-6
PubChem CID87214787
IUPAC Nametert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate
Molecular FormulaC12H25NO5
Molecular Weight263.33
XLogP-0.3
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity215
SMILES
CC(C)(C)OC(=O)COCCOCCOCCN
InChI
InChI=1S/C12H25NO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10,13H2,1-3H3
InChIKey
OTTHWLFOQWLZKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG3-CH2CO2-t-butyl ester
CAS: 189808-70-6
CID: 87214787
Formula: C12H25NO5
MW: 263.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.33
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass263.17327290
Monoisotopic Mass263.17327290
Topological Polar Surface Area80 Ų
Heavy Atom Count18
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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