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Fmoc-NH-PEG11-CH2COOH

CAT: 0804-HY-140466-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140466-01Size:100 mg
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Description
Fmoc-NH-PEG11-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2629308-66-1
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-nh-peg11-ch2cooh.html
Solubility
10 mM in DMSO
Smiles
O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)=O
Molecular Formula
C39H59NO15
Molecular Weight
781.88
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
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Fmoc-NH-PEG11-CH2COOH
CAS Number2629308-66-1
PubChem CID126480445
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC39H59NO15
Molecular Weight781.9
XLogP1
Topological Polar Surface Area177
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count38
Heavy Atom Count55
Formal Charge0
Complexity912
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C39H59NO15/c41-38(42)32-54-30-29-53-28-27-52-26-25-51-24-23-50-22-21-49-20-19-48-18-17-47-16-15-46-14-13-45-12-11-44-10-9-40-39(43)55-31-37-35-7-3-1-5-33(35)34-6-2-4-8-36(34)37/h1-8,37H,9-32H2,(H,40,43)(H,41,42)
InChIKey
SFAFLCDMDCLRMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-PEG11-CH2COOH
CAS: 2629308-66-1
CID: 126480445
Formula: C39H59NO15
MW: 781.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight781.9
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count38
Exact Mass781.38847018
Monoisotopic Mass781.38847018
Topological Polar Surface Area177 Ų
Heavy Atom Count55
Formal Charge0
Complexity912
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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