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N, N'-bis- (azide-PEG3) -Cy5

CAT: 0931-T18455-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18455-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2107273-46-9
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
'NN'-bis- (azide-PEG3) -Cy5 is a polyethylene glycol (PEG) -derived linker used for synthesizing proteolysis-targeting chimeras (PROTACs) [1].
Smiles
[Cl-].[N-]=[N+]=NCCOCCOCCOCCN1C=2C=CC=CC2C(C1=CC=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)CCOCCOCCOCCN=[N+]=[N-])(C)C
Molecular Formula
C41H57ClN8O6
Molecular Weight
793.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2Z)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2E,4E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole chloride
CAS Number2107273-46-9
PubChem CID164700562
IUPAC Name(2Z)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2E,4E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole chloride
Molecular FormulaC41H57ClN8O6
Molecular Weight793.4
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Heavy Atom Count56
Formal Charge0
Complexity1270
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCN=[N+]=[N-])(C)C)CCOCCOCCOCCN=[N+]=[N-])C.[Cl-]
InChI
InChI=1S/C41H57N8O6.ClH/c1-40(2)34-12-8-10-14-36(34)48(20-24-52-28-32-54-30-26-50-22-18-44-46-42)38(40)16-6-5-7-17-39-41(3,4)35-13-9-11-15-37(35)49(39)21-25-53-29-33-55-31-27-51-23-19-45-47-43;/h5-17H,18-33H2,1-4H3;1H/q+1;/p-1
InChIKey
ABWDMMSABAJXMT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (2Z)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2E,4E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole chloride
CAS: 2107273-46-9
CID: 164700562
Formula: C41H57ClN8O6
MW: 793.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Exact Mass792.4089593
Monoisotopic Mass792.4089593
Topological Polar Surface Area90.4 Ų
Heavy Atom Count56
Formal Charge0
Complexity1270
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
HY-141060N,N'-bis-(azide-PEG3)-Cy5
GTR19225175-01N, N'-bis- (azide-PEG3) -Cy5
MBS5771319N-PEG3-N'-(azide-PEG3)-Cy5
HY-141061N-PEG3-N'- (azide-PEG3) -Cy5
GTR19225834-01Bis- (N, N'-amine-PEG3) -Cy5
HY-141057Bis-(N,N’-amine-PEG3)-Cy5
MBS5770482Bis-(N,N'-amine-PEG3)-Cy5
HY-141043N, N'-bis- (Acid-PEG3) -benzothiazole Cy5
MBS5771312N,N'-bis-(Acid-PEG3)-benzothiazole Cy5
HY-141066N-(azide-PEG3)-N'-(Mal-PEG4)-Cy5

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