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Ald-CH2-PEG4-Boc

CAT: 0804-HY-140630-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140630-01Size:25 mg
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Description
Ald-CH2-PEG4-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1415329-20-2
UNSPSC
12352211
Hazard Statement
H315, H319
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ald-ch2-peg4-boc-1.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCC=O
Molecular Formula
C15H28O7
Molecular Weight
320.38
Precautions
H315, H319
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, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Ald-CH2-PEG4-t-butyl ester
CAS Number1415329-20-2
PubChem CID77078409
IUPAC Nametert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC15H28O7
Molecular Weight320.38
XLogP0
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity286
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCC=O
InChI
InChI=1S/C15H28O7/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h5H,4,6-13H2,1-3H3
InChIKey
SCAAICMVIUVGGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-CH2-PEG4-t-butyl ester
CAS: 1415329-20-2
CID: 77078409
Formula: C15H28O7
MW: 320.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.38
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass320.18350323
Monoisotopic Mass320.18350323
Topological Polar Surface Area80.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity286
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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T14157-01Ald-CH2-PEG4-Boc
572719Ald-CH2-PEG4-CH2CO2tBu
MD004067-4Ald-CH2-PEG4-CH2CH2COOtBu
T14158-01Ald-CH2-PEG3-CH2-Boc
T17366-01Ald-CH2-PEG10-Boc
T14160-01Ald-CH2-PEG5-Boc
T17643-01Boc-Aminooxy-PEG4-CH2-Boc
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