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Mal-Amido-PEG4-Boc

CAT: 0804-HY-140967-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140967-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-Amido-PEG4-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1415800-35-9
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/mal-amido-peg4-boc.html
Purity
99.84
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O
Molecular Formula
C22H36N2O9
Molecular Weight
472.53
Precautions
H302, H315, H319, H335
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

Mal-Amido-PEG4-t-butyl ester
CAS Number1415800-35-9
PubChem CID77078508
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC22H36N2O9
Molecular Weight472.5
XLogP-1.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count33
Formal Charge0
Complexity641
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C22H36N2O9/c1-22(2,3)33-21(28)7-10-29-12-14-31-16-17-32-15-13-30-11-8-23-18(25)6-9-24-19(26)4-5-20(24)27/h4-5H,6-17H2,1-3H3,(H,23,25)
InChIKey
XYOMHLPGMUCBGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-Amido-PEG4-t-butyl ester
CAS: 1415800-35-9
CID: 77078508
Formula: C22H36N2O9
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass472.24208073
Monoisotopic Mass472.24208073
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity641
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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