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NH-bis (PEG2-C2-acid)

CAT: 0804-HY-140514-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140514-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NH-bis (PEG2-C2-acid) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1919044-99-7
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-peg2-c2-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCNCCOCCOCCC(O)=O
Molecular Formula
C14H27NO8
Molecular Weight
337.37
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

NH-bis(PEG2-C2-acid)
CAS Number1919044-99-7
PubChem CID118376476
IUPAC Name3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]propanoic acid
Molecular FormulaC14H27NO8
Molecular Weight337.37
XLogP-4.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity273
SMILES
C(COCCOCCNCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C14H27NO8/c16-13(17)1-5-20-9-11-22-7-3-15-4-8-23-12-10-21-6-2-14(18)19/h15H,1-12H2,(H,16,17)(H,18,19)
InChIKey
JHTYGFBPZUBUIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH-bis(PEG2-C2-acid)
CAS: 1919044-99-7
CID: 118376476
Formula: C14H27NO8
MW: 337.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.37
XLogP3-4.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass337.17366682
Monoisotopic Mass337.17366682
Topological Polar Surface Area124 Ų
Heavy Atom Count23
Formal Charge0
Complexity273
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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