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Bromoacetamide-PEG3-C1-acid

CAT: 0804-HY-133506Size: 1 EachDry Ice: NoHazardous: No
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Description
Bromoacetamide-PEG3-C1-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
173323-22-3
UNSPSC
12352211
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bromoacetamide-peg3-c1-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCOCC(O)=O)CBr
Molecular Formula
C10H18BrNO6
Molecular Weight
328.16
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

(2-(2-(2-((2-Bromoacetyl)amino)ethoxy)ethoxy)ethoxy)acetic acid
CAS Number173323-22-3
PubChem CID133086
IUPAC Name2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC10H18BrNO6
Molecular Weight328.16
XLogP-0.5
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity238
SMILES
C(COCCOCCOCC(=O)O)NC(=O)CBr
InChI
InChI=1S/C10H18BrNO6/c11-7-9(13)12-1-2-16-3-4-17-5-6-18-8-10(14)15/h1-8H2,(H,12,13)(H,14,15)
InChIKey
YTQSICXMSXKITM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(2-(2-((2-Bromoacetyl)amino)ethoxy)ethoxy)ethoxy)acetic acid
CAS: 173323-22-3
CID: 133086
Formula: C10H18BrNO6
MW: 328.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.16
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass327.03175
Monoisotopic Mass327.03175
Topological Polar Surface Area94.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity238
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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CatalogName
MBS5799704Bromoacetamide-PEG3-C1-acid
MBS5770570Bromoacetamide-PEG3-propargyl
T200048-01DBCO-PEG3-C1-acid
T16666-01NH2-PEG3-C1-Boc
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