TAMRA-PEG3-Azide

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TAMRA-PEG3-Azide

TAMRA-PEG3-Azide | 1228100-59-1

Catalog 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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