TAMRA-PEG4-acid | CAS 1909223-02-4

Name: TAMRA-PEG4-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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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.

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
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)
InChIKey	AZESQZROUFRXLP-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF, DCM

Excitation	553
Emission	575
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.

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	159Å²
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