TAMRA-PEG3-Azide | 1228100-59-1

Name: TAMRA-PEG3-Azide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	Size	Price	Quantity
F07-0012	--	$--

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Product Introduction

TAMRA-PEG3-Azide is a polyethylene glycol (PEG)-based PROTAC linker. TAMRA-PEG3-Azide can be used in the synthesis of a series of PROTACs.

Synonyms	TAMRA-PEG3-N3; 5-Carboxytetramethylrhodamine-PEG3-Azide; 5-((2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate; 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate; Xanthylium, 9-[4-(13-azido-1-oxo-5,8,11-trioxa-2-azatridec-1-yl)-2-carboxyphenyl]-3,6-bis(dimethylamino)-, inner salt
Purity	90%
IUPAC Name	5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
Canonical SMILES	CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCOCCOCCOCCN=[N+]=[N-])C(=O)[O-]
InChI	InChI=1S/C33H38N6O7/c1-38(2)23-6-9-26-29(20-23)46-30-21-24(39(3)4)7-10-27(30)31(26)25-8-5-22(19-28(25)33(41)42)32(40)35-11-13-43-15-17-45-18-16-44-14-12-36-37-34/h5-10,19-21H,11-18H2,1-4H3,(H-,35,40,41,42)
InChI Key	YREJCORUQQJQHB-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF, DCM

Excitation	553
Emission	575
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	630.28019757 g/mol
Monoisotopic Mass	630.28019757 g/mol
Topological Polar Surface Area	127Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1200
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