DBCO-C3-PEG4-amine

Name: DBCO-C3-PEG4-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

DBCO-C3-PEG4-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C3-PEG4-amine can be used in the synthesis of a series of PROTACs.

Purity	98%
IUPAC Name	3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]propyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCCOC(=O)CCOCCOCCOCCOCCN
InChI	InChI=1S/C33H43N3O8/c34-15-19-41-21-23-43-25-24-42-22-20-40-18-14-33(39)44-17-5-16-35-31(37)12-13-32(38)36-26-29-8-2-1-6-27(29)10-11-28-7-3-4-9-30(28)36/h1-4,6-9H,5,12-26,34H2,(H,35,37)
InChIKey	LUQYPCXYQQOMEO-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	22
Exact Mass	609.30501534 g/mol
Monoisotopic Mass	609.30501534 g/mol
Topological Polar Surface Area	139Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	919
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