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Methylamino-PEG4-acid

CAT: 0804-HY-135153-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135153-01Size:100 mg
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Description
Methylamino-PEG4-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1283658-71-8
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/methylamino-peg4-acid.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
CNCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C12H25NO6
Molecular Weight
279.33
Precautions
H302, 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
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Methylamino-PEG4-acid
CAS Number1283658-71-8
PubChem CID77078189
IUPAC Name3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC12H25NO6
Molecular Weight279.33
XLogP-3.6
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity203
SMILES
CNCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C12H25NO6/c1-13-3-5-17-7-9-19-11-10-18-8-6-16-4-2-12(14)15/h13H,2-11H2,1H3,(H,14,15)
InChIKey
NVNPCETYZYDTLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylamino-PEG4-acid
CAS: 1283658-71-8
CID: 77078189
Formula: C12H25NO6
MW: 279.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.33
XLogP3-3.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass279.16818752
Monoisotopic Mass279.16818752
Topological Polar Surface Area86.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity203
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