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NH-bis (PEG4-acid)

CAT: 0804-HY-140516-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140516-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NH-bis (PEG4-acid) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2055041-59-1
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/nh-bis-peg4-acid.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C22H43NO12
Molecular Weight
513.58
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
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

NH-bis(PEG4-acid)
CAS Number2055041-59-1
PubChem CID123132135
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H43NO12
Molecular Weight513.6
XLogP-4.7
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Heavy Atom Count35
Formal Charge0
Complexity430
SMILES
C(COCCOCCOCCOCCNCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H43NO12/c24-21(25)1-5-28-9-13-32-17-19-34-15-11-30-7-3-23-4-8-31-12-16-35-20-18-33-14-10-29-6-2-22(26)27/h23H,1-20H2,(H,24,25)(H,26,27)
InChIKey
QTCFBOYSLWNBKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH-bis(PEG4-acid)
CAS: 2055041-59-1
CID: 123132135
Formula: C22H43NO12
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP3-4.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Exact Mass513.27852581
Monoisotopic Mass513.27852581
Topological Polar Surface Area160 Ų
Heavy Atom Count35
Formal Charge0
Complexity430
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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