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THP-CH3-ethyl propionate

CAT: 0804-HY-138534Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138534Size:1 Each
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Description
THP-CH3-ethyl propionate is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
3539-40-0
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/thp-ch3-ethyl-propionate.html
Solubility
10 mM in DMSO
Smiles
CC(OC1CCCCO1)C(OCC)=O
Molecular Formula
C10H18O4
Molecular Weight
202.25
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

Chemical Information

Ethyl 2-(oxan-2-yloxy)propanoate
CAS Number3539-40-0
PubChem CID319942
IUPAC Nameethyl 2-(oxan-2-yloxy)propanoate
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP1.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
CCOC(=O)C(C)OC1CCCCO1
InChI
InChI=1S/C10H18O4/c1-3-12-10(11)8(2)14-9-6-4-5-7-13-9/h8-9H,3-7H2,1-2H3
InChIKey
KXSNMSYBVPOHGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(oxan-2-yloxy)propanoate
CAS: 3539-40-0
CID: 319942
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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