TAMRA-PEG4-Alkyne

What We Offer

TAMRA-PEG4-Alkyne

TAMRA-PEG4-Alkyne | 1225057-68-0

Catelog 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
cartIcon
Inquiry Basket