TAMRA-PEG4-Alkyne

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TAMRA-PEG4-Alkyne

TAMRA-PEG4-Alkyne | 1225057-68-0

Catalog Number F07-0017
Category TAMRA
Molecular Formula C₃₆H₄₁N₃O₈
Molecular Weight 643.73
Catalog Number Size Price Quantity
F07-0017 -- $--

Product Introduction

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

Chemical Information

Synonyms 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]benzoate; 5-((3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate
Purity 90%
IUPAC Name 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]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)NCCOCCOCCOCCOCC#C)C(=O)[O-]
InChI InChI=1S/C36H41N3O8/c1-6-14-43-16-18-45-20-21-46-19-17-44-15-13-37-35(40)25-7-10-28(31(22-25)36(41)42)34-29-11-8-26(38(2)3)23-32(29)47-33-24-27(39(4)5)9-12-30(33)34/h1,7-12,22-24H,13-21H2,2-5H3,(H-,37,40,41,42)
InChI Key WQEIEHQRZQLUSE-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 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 16
Exact Mass 643.28936527 g/mol
Monoisotopic Mass 643.28936527 g/mol
Topological Polar Surface Area 122Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1210
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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