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Bromo-PEG3-CH2-Boc

CAT: 0804-HY-141372-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141372-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bromo-PEG3-CH2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2100306-71-4
UNSPSC
12352211
Hazard Statement
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/bromo-peg3-ch2-boc.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC(C)(C)C)COCCOCCOCCBr
Molecular Formula
C12H23BrO5
Molecular Weight
327.21
Precautions
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
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Bromo-PEG3-CH2CO2tBu
CAS Number2100306-71-4
PubChem CID126480423
IUPAC Nametert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
Molecular FormulaC12H23BrO5
Molecular Weight327.21
XLogP1.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity215
SMILES
CC(C)(C)OC(=O)COCCOCCOCCBr
InChI
InChI=1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3
InChIKey
WDLOTPAWUBQPND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG3-CH2CO2tBu
CAS: 2100306-71-4
CID: 126480423
Formula: C12H23BrO5
MW: 327.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.21
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass326.07289
Monoisotopic Mass326.07289
Topological Polar Surface Area54 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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