Methyltetrazine-PEG4-acid

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Methyltetrazine-PEG4-acid

Methyltetrazine-PEG4-acid | 1802907-91-0

Catelog Number R08-0057
Category Tetrazines
Molecular Formula C₂₀H₂₈N₄O₇
Molecular Weight 436.46
Catalog Number Size Price Quantity
R08-0057 -- $--

Product Introduction

Methyltetrazine-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG4-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms Methyltetrazine-PEG4-COOH; 1-(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oic acid; 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; MeTz-PEG(4)-COOH
Purity 95%
IUPAC Name 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C20H28N4O7/c1-16-21-23-20(24-22-16)17-2-4-18(5-3-17)31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-19(25)26/h2-5H,6-15H2,1H3,(H,25,26)
InChI Key LMFGOJBYDNENPR-UHFFFAOYSA-N
Solubility Water, DMSO, DMF, DCM

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 17
Exact Mass 436.19579924 g/mol
Monoisotopic Mass 436.19579924 g/mol
Topological Polar Surface Area 135Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 459
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2022240599-A2 Composite solid state electrolyte and lithium ion battery containing the same 2021-05-03
EP-3919091-A1 Bioink for reversibly forming a hydrogel by light 2020-06-05
JP-2021523896-A Injectable composition for use as a filler or drug transmitter through a click chemistry reaction 2019-02-27
JP-7177323-B2 Injectable compositions for use as fillers or drug delivery vehicles through click chemistry reactions 2019-02-27
WO-2019216744-A2 Injection formulation composition for use as filler or drug carrier through click chemistry reaction 2018-05-08
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