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Methyltetrazine-PEG5-alkyne

CAT: 0804-HY-141275-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141275-01Size:10 mg
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Description
Methyltetrazine-PEG5-alkyne is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Methyltetrazine-PEG5-alkyne is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
1802907-97-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
98.0
Solubility
DMSO : ≥ 100 mg/mL
Smiles
C#CCOCCOCCOCCOCCOC1=CC=C(C2=NN=C(C)N=N2)C=C1
Molecular Formula
C20H26N4O5
Molecular Weight
402.44
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
PEG Linkers

Chemical Information

Methyltetrazine-PEG5-Alkyne
CAS Number1802907-97-6
PubChem CID86580462
IUPAC Name3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine
Molecular FormulaC20H26N4O5
Molecular Weight402.4
XLogP0.2
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity445
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C
InChI
InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3
InChIKey
OAKPIEOTVXLRCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyltetrazine-PEG5-Alkyne
CAS: 1802907-97-6
CID: 86580462
Formula: C20H26N4O5
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass402.19031994
Monoisotopic Mass402.19031994
Topological Polar Surface Area97.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity445
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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Alternative Products

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CXC90797Methyltetrazine-PEG5-alkyne
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T18353-01Methyltetrazine-PEG5-methyltetrazine
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MBS5771213Methyltetrazine-PEG5-triethoxysilane
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T203769-01Pomalidomide-PEG5-Alkyne
MD007128-5Alkyne-PEG5-CH2COOtBu
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