TAMRA-PEG3-Azide | CAS 1228100-59-1

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

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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
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)
InChIKey	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.

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