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Hydroxy-PEG2-C2-methyl ester

CAT: 0804-HY-141240-05Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-141240-05Size:5 g
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Description
Hydroxy-PEG2-C2-methyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
457897-73-3
Product Name Alternative
Methyl 3-[2- (2-hydroxyethoxy) ethoxy]propanoate
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/hydroxy-peg2-c2-methyl-ester.html
Purity
99.95
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC)CCOCCOCCO
Molecular Formula
C8H16O5
Molecular Weight
192.21
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
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Methyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
CAS Number457897-73-3
PubChem CID75488359
IUPAC Namemethyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
Molecular FormulaC8H16O5
Molecular Weight192.21
XLogP-0.9
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity126
SMILES
COC(=O)CCOCCOCCO
InChI
InChI=1S/C8H16O5/c1-11-8(10)2-4-12-6-7-13-5-3-9/h9H,2-7H2,1H3
InChIKey
ZWFWEUBKPURUHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
CAS: 457897-73-3
CID: 75488359
Formula: C8H16O5
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass192.09977361
Monoisotopic Mass192.09977361
Topological Polar Surface Area65 Ų
Heavy Atom Count13
Formal Charge0
Complexity126
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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