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NH2-PEG1-C1-Boc

CAT: 0804-HY-W073709Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W073709Size:1 Each
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Description
NH2-PEG1-C1-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1155811-37-2
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/nh2-peg1-c1-boc.html
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(OC(C)(C)C)COCCN
Molecular Formula
C8H17NO3
Molecular Weight
175.23
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Tert-butyl 2-(2-aminoethoxy)acetate
CAS Number1155811-37-2
PubChem CID17817576
IUPAC Nametert-butyl 2-(2-aminoethoxy)acetate
Molecular FormulaC8H17NO3
Molecular Weight175.23
XLogP0
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
CC(C)(C)OC(=O)COCCN
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6,9H2,1-3H3
InChIKey
OTVFRZJXVQDULI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2-(2-aminoethoxy)acetate
CAS: 1155811-37-2
CID: 17817576
Formula: C8H17NO3
MW: 175.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.23
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass175.12084340
Monoisotopic Mass175.12084340
Topological Polar Surface Area61.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
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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