TAMRA-PEG4-Alkyne | CAS 1225057-68-0

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

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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.

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
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)
InChIKey	WQEIEHQRZQLUSE-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	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	122Å²
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