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Acid-PEG3-C2-Boc

CAT: 0804-HY-130549-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130549-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acid-PEG3-C2-Boc is a PEG- and Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs for the degradation of EGFR and inhibition of mTOR[1][2].
CAS Number
1807539-06-5
UNSPSC
12352211
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/acid-peg3-c2-boc.html
Purity
99.90
Solubility
DMSO : 175 mg/mL
Smiles
CC(C)(C)OC(CCOCCOCCOCCC(O)=O)=O
Molecular Formula
C14H26O7
Molecular Weight
306.35
Precautions
H302, H315, H319, H335
References & Citations
[1]Nathanael Gray, et al. Bifunctional molecules for degradation of egfr and methods of use. WO2017185036A1.|[2]Christopher Semko, et al. Rapamycin analogs as mtor inhibitors. WO 2018204416 A1.
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

Acid-PEG3-t-butyl ester
CAS Number1807539-06-5
PubChem CID77078220
IUPAC Name3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC14H26O7
Molecular Weight306.35
XLogP0.1
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity296
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H26O7/c1-14(2,3)21-13(17)5-7-19-9-11-20-10-8-18-6-4-12(15)16/h4-11H2,1-3H3,(H,15,16)
InChIKey
VDWZJPCGUNJFEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG3-t-butyl ester
CAS: 1807539-06-5
CID: 77078220
Formula: C14H26O7
MW: 306.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.35
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass306.16785316
Monoisotopic Mass306.16785316
Topological Polar Surface Area91.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity296
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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