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Ald-Ph-PEG2-Boc

CAT: 0804-HY-140628Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140628Size:1 Each
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Description
Ald-Ph-PEG2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2100306-65-6
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/ald-ph-peg2-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOC1=CC=C(C=O)C=C1
Molecular Formula
C16H22O5
Molecular Weight
294.34
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
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Ald-Ph-PEG2-Boc
CAS Number2100306-65-6
PubChem CID126480433
IUPAC Nametert-butyl 3-[2-(4-formylphenoxy)ethoxy]propanoate
Molecular FormulaC16H22O5
Molecular Weight294.34
XLogP2
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity313
SMILES
CC(C)(C)OC(=O)CCOCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C16H22O5/c1-16(2,3)21-15(18)8-9-19-10-11-20-14-6-4-13(12-17)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKey
HIKDMVVPLDWKAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-PEG2-Boc
CAS: 2100306-65-6
CID: 126480433
Formula: C16H22O5
MW: 294.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.34
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass294.14672380
Monoisotopic Mass294.14672380
Topological Polar Surface Area61.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity313
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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Alternative Products

CatalogName
MBS5770249Ald-Ph-PEG2-Boc
572726Ald-Ph-PEG2-NH-Boc
T14164-01Ald-Ph-amido-PEG2-C2-Boc
572711Ald-Ph-PEG2-NHS
572708Ald-Ph-PEG2-acid
MBS5770257Ald-Ph-amido-PEG2
sc-496085Ald-Ph-PEG2-amine
BIPG1023-01Ald--Ph-PEG2-NHS
sc-496109Ald-Ph-PEG2-NHBoc
BIPG1016-01Ald--Ph-PEG2-acid

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