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N- (m-PEG4) -N'- (hydroxy-PEG2) -Cy5

CAT: 0804-HY-141073Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141073Size:1 Each
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Description
N- (m-PEG4) -N'- (hydroxy-PEG2) -Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2107273-12-9
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/n-m-peg4-n-hydroxy-peg2-cy5.html
Solubility
10 mM in DMSO
Smiles
CC(C1=CC=CC=C1N/2CCOCCOCCOCCOC)(C)C2=C/C=C/C=C/C3=[N+](CCOCCOCCO)C(C=CC=C4)=C4C3(C)C.[Cl-]
Molecular Formula
C40H57ClN2O7
Molecular Weight
713.34
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

N-(m-PEG4)-N'-(hydroxy-PEG2)-Cy5
CAS Number2107273-12-9
PubChem CID119058371
IUPAC Name2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethanol chloride
Molecular FormulaC40H57ClN2O7
Molecular Weight713.3
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count50
Formal Charge0
Complexity1080
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCO)C.[Cl-]
InChI
InChI=1S/C40H57N2O7.ClH/c1-39(2)33-13-9-11-15-35(33)41(19-22-45-27-29-47-24-21-43)37(39)17-7-6-8-18-38-40(3,4)34-14-10-12-16-36(34)42(38)20-23-46-28-30-49-32-31-48-26-25-44-5;/h6-18,43H,19-32H2,1-5H3;1H/q+1;/p-1
InChIKey
IZJBQJRLNJOCMH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of N-(m-PEG4)-N'-(hydroxy-PEG2)-Cy5
CAS: 2107273-12-9
CID: 119058371
Formula: C40H57ClN2O7
MW: 713.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight713.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass712.3854299
Monoisotopic Mass712.3854299
Topological Polar Surface Area81.9 Ų
Heavy Atom Count50
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5771288N-(m-PEG4)-N'-(hydroxy-PEG2)-Cy5
T18429-01N- (m-PEG4) -N'- (hydroxy-PEG2) -Cy5
T18426-01N- (m-PEG4) -N'- (Biotin-PEG2-amido-PEG4) -Cy5
GTR19225199-01N- (m-PEG4) -N'- (PEG2-acid) -Cy5
MBS5771285N-(m-PEG4)-N'-(Biotin-PEG2-amido-PEG4)-Cy5
MBS5771292N-(m-PEG4)-N'-(PEG2-acid)-Cy5
MBS5771293N-(m-PEG4)-N'-(PEG2-NHS ester)-Cy5
T18434-01N- (m-PEG4) -N'- (PEG2-NHS ester) -Cy5
T18446-01N-Methyl-N'- (hydroxy-PEG2) -Cy5
MBS5771305N-Methyl-N'-(hydroxy-PEG2)-Cy5

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