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Fmoc-NMe-PEG4-NHS ester

CAT: 0804-HY-141103Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141103Size:1 Each
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Description
Fmoc-NMe-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2228857-30-3
UNSPSC
12352005
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/fmoc-nme-peg4-nhs-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(N(C)CCOCCOCCOCCOCCC(ON(C1=O)C(CC1)=O)=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C31H38N2O10
Molecular Weight
598.64
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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

Fmoc-NMe-PEG4-NHS ester
CAS Number2228857-30-3
PubChem CID134159731
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H38N2O10
Molecular Weight598.6
XLogP1.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count43
Formal Charge0
Complexity879
SMILES
CN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C31H38N2O10/c1-32(31(37)42-22-27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27)13-15-39-17-19-41-21-20-40-18-16-38-14-12-30(36)43-33-28(34)10-11-29(33)35/h2-9,27H,10-22H2,1H3
InChIKey
GDTKRPKAACWJRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NMe-PEG4-NHS ester
CAS: 2228857-30-3
CID: 134159731
Formula: C31H38N2O10
MW: 598.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.6
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass598.25264541
Monoisotopic Mass598.25264541
Topological Polar Surface Area130 Ų
Heavy Atom Count43
Formal Charge0
Complexity879
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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