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Mal-amide-PEG2-oxyamine-Boc

CAT: 0804-HY-133503Size: 1 EachDry Ice: NoHazardous: No
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Description
Mal-amide-PEG2-oxyamineBoc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2253965-15-8
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-amide-peg2-oxyamine-boc.html
Solubility
10 mM in DMSO
Smiles
O=C1C=CC(N1CCC(NCCOCCOCCONC(OC(C)(C)C)=O)=O)=O
Molecular Formula
C18H29N3O8
Molecular Weight
415.44
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
PEG Linkers

Chemical Information

Mal-amide-PEG2-oxyamine-Boc
CAS Number2253965-15-8
PubChem CID146673069
IUPAC Nametert-butyl N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]carbamate
Molecular FormulaC18H29N3O8
Molecular Weight415.4
XLogP-0.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity582
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C18H29N3O8/c1-18(2,3)29-17(25)20-28-13-12-27-11-10-26-9-7-19-14(22)6-8-21-15(23)4-5-16(21)24/h4-5H,6-13H2,1-3H3,(H,19,22)(H,20,25)
InChIKey
VEIXZXOBWZFWFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amide-PEG2-oxyamine-Boc
CAS: 2253965-15-8
CID: 146673069
Formula: C18H29N3O8
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass415.19546489
Monoisotopic Mass415.19546489
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity582
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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T39791-01Mal-amide-PEG2-oxyamine-Boc
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