TAMRA-PEG4-methyltetrazine | 2163772-19-6

Catalog Number	F07-0027
Category	TAMRA
Molecular Formula	C₄₂H₄₅N₇O₈
Molecular Weight	775.85

Catalog Number	Size	Price	Quantity
F07-0027	--	$--

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Product Introduction

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

Chemical Information
Synonyms	2-(3,6-Bis(dimethylamino)xanthylium-9-yl)-5-((2-(2-(2-(2-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl)carbamoyl)benzoate; TAMRA Methyltetrazine
Purity	775.9
IUPAC Name	2-[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
Canonical 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)
InChI Key	SPHPUTOWAPVULR-UHFFFAOYSA-N

Product Specification

Storage

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

Computed Properties
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Exact Mass	775.33296142 g/mol
Monoisotopic Mass	775.33296142 g/mol
Topological Polar Surface Area	173Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1420
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

Applications of Fluorescent Probes & Dyes

Laser Dye

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TAMRA-PEG4-methyltetrazine | 2163772-19-6

Product Introduction

Chemical Information

Computed Properties