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Tetrazine-Ph-acid

CAT: 0013-GTR19231591Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231591Size:2 mg
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Description
Tetrazine-Ph-acid is a PROTAC linker featuring an alkyl chain spacer. This bifunctional molecule is utilized in the synthesis of proteolysis-targeting chimeras for targeted protein degradation research in both cellular and in vivo studies.
CAS Number
1380500-92-4
Field of Research
Pharmacology & Drug Discovery
Smiles
OC (=O) Cc1ccc (cc1) -c1nncnn1
Molecular Formula
C10H8N4O2
Molecular Weight
216.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-(1,2,4,5-tetrazin-3-yl)phenyl)acetic acid, 0.25M solution in DMSO
CAS Number1380500-92-4
PubChem CID71247950
IUPAC Name2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetic acid
Molecular FormulaC10H8N4O2
Molecular Weight216.20
XLogP-0.3
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity235
SMILES
C1=CC(=CC=C1CC(=O)O)C2=NN=CN=N2
InChI
InChI=1S/C10H8N4O2/c15-9(16)5-7-1-3-8(4-2-7)10-13-11-6-12-14-10/h1-4,6H,5H2,(H,15,16)
InChIKey
SLJKKTFIAUAYGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(1,2,4,5-tetrazin-3-yl)phenyl)acetic acid, 0.25M solution in DMSO
CAS: 1380500-92-4
CID: 71247950
Formula: C10H8N4O2
MW: 216.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.20
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass216.06472551
Monoisotopic Mass216.06472551
Topological Polar Surface Area88.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity235
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

CatalogName
OR1001941-01Tetrazine-Ph-acid
T18801-01Tetrazine-Ph-PEG5-Ph-tetrazine
T18799-01Tetrazine-Ph-OPSS
HY-133465Tetrazine-Ph-PEG4-Ph-aldehyde
T87797-01Tetrazine-Ph-SS-amine
T17062-01Tetrazine-Ph-NHS ester
JH919984Tetrazine-Acid
HY-133464Tetrazine-Ph-NHCO-PEG4-alkyne
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HY-126908ATetrazine-Ph-PEG17-NHS ester

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