TAMRA-PEG4-acid

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TAMRA-PEG4-acid

TAMRA-PEG4-acid | 1909223-02-4

Catelog Number F07-0021
Category TAMRA
Molecular Formula C₃₆H₄₃N₃O₁₀
Molecular Weight 677.80
Catalog Number Size Price Quantity
F07-0021 -- $--

Product Introduction

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

Chemical Information

Synonyms 5-((14-carboxy-3,6,9,12-tetraoxatetradecyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate; 5-[(14-carboxy-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate 5-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
Purity 98%
IUPAC Name 5-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]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)NCCOCCOCCOCCOCCC(=O)O)C(=O)[O-]
InChI InChI=1S/C36H43N3O10/c1-38(2)25-6-9-28-31(22-25)49-32-23-26(39(3)4)7-10-29(32)34(28)27-8-5-24(21-30(27)36(43)44)35(42)37-12-14-46-16-18-48-20-19-47-17-15-45-13-11-33(40)41/h5-10,21-23H,11-20H2,1-4H3,(H2-,37,40,41,42,43,44)
InChI Key AZESQZROUFRXLP-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 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 18
Exact Mass 677.29484458 g/mol
Monoisotopic Mass 677.29484458 g/mol
Topological Polar Surface Area 159Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1220
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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