TAMRA-PEG3-Azide

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TAMRA-PEG3-Azide

TAMRA-PEG3-Azide | 1228100-59-1

Catelog Number F07-0012
Category TAMRA
Molecular Formula C₃₃H₃₈N₆O₇
Molecular Weight 630.69
Catalog Number Size Price Quantity
F07-0012 -- $--

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.

Chemical Information

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

Product Specification

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 127Ų
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
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