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TAMRA-PEG4-methyltetrazine

CAT: 0804-HY-141286Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141286Size:1 Each
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Description
TAMRA-PEG4-methyltetrazine is a dye derivative of TAMRA containing 4 PEG units. TAMRA-PEG4-methyltetrazine contains a Tetrazine group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing TCO groups.
CAS Number
2163772-19-6
UNSPSC
12171500
Hazard Statement
H315-H319-H335
Target
Fluorescent Dye
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[O-]C(C(C=C(C(NCCOCCOCCOCCOC1=CC=C(C2=NN=C(C)N=N2)C=C1)=O)C=C3)=C3C4=C(C=CC(N(C)C)=C5)C5=[O+]C6=C4C=CC(N(C)C)=C6)=O
Molecular Formula
C42H45N7O8
Molecular Weight
775.85
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-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
Dye Reagents
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

TAMRA-PEG4-Methyltetrazine
CAS Number2163772-19-6
PubChem CID91757912
IUPAC Name2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate
Molecular FormulaC42H45N7O8
Molecular Weight775.8
XLogP2.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Heavy Atom Count57
Formal Charge0
Complexity1420
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)C3=CC(=C(C=C3)C4=C5C=CC(=[N+](C)C)C=C5OC6=C4C=CC(=C6)N(C)C)C(=O)[O-]
InChI
InChI=1S/C42H45N7O8/c1-27-44-46-40(47-45-27)28-6-11-32(12-7-28)56-23-22-55-21-20-54-19-18-53-17-16-43-41(50)29-8-13-33(36(24-29)42(51)52)39-34-14-9-30(48(2)3)25-37(34)57-38-26-31(49(4)5)10-15-35(38)39/h6-15,24-26H,16-23H2,1-5H3,(H-,43,50,51,52)
InChIKey
SPHPUTOWAPVULR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAMRA-PEG4-Methyltetrazine
CAS: 2163772-19-6
CID: 91757912
Formula: C42H45N7O8
MW: 775.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight775.8
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Exact Mass775.33296142
Monoisotopic Mass775.33296142
Topological Polar Surface Area173 Ų
Heavy Atom Count57
Formal Charge0
Complexity1420
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
sc-496463TAMRA-PEG4-Methyltetrazine
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T16058-01Methyltetrazine-PEG4-maleimide
T18348Methyltetrazine-PEG4-acid
T16057-01Methyltetrazine-PEG4-amine
sc-496793Methyltetrazine-PEG4-Azide
T18350-01Methyltetrazine-PEG4-oxyamine
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