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Mal-amido-PEG4-acid

CAT: 0804-HY-130414-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130414-01Size:250 mg
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Description
Mal-amido-PEG4-C2-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1263045-16-4
UNSPSC
12352005
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/mal-amido-peg4-acid.html
Purity
99.76
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCOCCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O
Molecular Formula
C18H28N2O9
Molecular Weight
416.42
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
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

19-Maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecanoic Acid
CAS Number1263045-16-4
PubChem CID51340949
IUPAC Name3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC18H28N2O9
Molecular Weight416.4
XLogP-1.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count29
Formal Charge0
Complexity548
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H28N2O9/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25/h1-2H,3-14H2,(H,19,21)(H,24,25)
InChIKey
IAJVEYLYYHOZEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 19-Maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecanoic Acid
CAS: 1263045-16-4
CID: 51340949
Formula: C18H28N2O9
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass416.17948047
Monoisotopic Mass416.17948047
Topological Polar Surface Area141 Ų
Heavy Atom Count29
Formal Charge0
Complexity548
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