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Amino-PEG10-acid

CAT: 0804-HY-140176Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140176Size:2 mg
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Description
Amino-PEG10-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2170987-85-4
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/amino-peg10-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C23H47NO12
Molecular Weight
529.62
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-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

Amino-PEG10-acid
CAS Number2170987-85-4
PubChem CID77078362
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC23H47NO12
Molecular Weight529.6
XLogP-5
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Heavy Atom Count36
Formal Charge0
Complexity434
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C23H47NO12/c24-2-4-28-6-8-30-10-12-32-14-16-34-18-20-36-22-21-35-19-17-33-15-13-31-11-9-29-7-5-27-3-1-23(25)26/h1-22,24H2,(H,25,26)
InChIKey
SVXUSQJNNODUGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG10-acid
CAS: 2170987-85-4
CID: 77078362
Formula: C23H47NO12
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP3-5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Exact Mass529.30982593
Monoisotopic Mass529.30982593
Topological Polar Surface Area156 Ų
Heavy Atom Count36
Formal Charge0
Complexity434
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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