Amino-PEG6-t-butyl ester - CAS 1286281-32-0

Name: Amino-PEG6-t-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006916
Product Name:	Amino-PEG6-t-butyl ester
CAS:	1286281-32-0
Synonyms:	Amino-PEG6-COOtBu; H2N-PEG6-CH2CH2COOtBu; tert-butyl 1-amino-3,6,9,12,15,18-hexaoxahenicosan-21-oate

Technical Data

IUPAC Name:	tert-butyl 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Description:	NH2-PEG6-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. NH2-PEG6-Boc is also a non-cleavable 6 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Molecular Weight:	409.51
Molecular Formula:	C19H39NO8
Canonical SMILES:	CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN
InChI:	InChI=1S/C19H39NO8/c1-19(2,3)28-18(21)4-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-5-20/h4-17,20H2,1-3H3
InChI Key:	QGSFECNPSLZGGT-UHFFFAOYSA-N
Purity:	98.0 %
Solubility:	10 mm in DMSO
Appearance:	White or off-white solid
Storage:	Store at -5 °C, keep in dry and avoid sunlight.
LogP:	1.47680

Publication Number	Title	Priority Date
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
WO-2021055641-A1	Fibroblast activation protein (fap)-targeted imaging and therapy of cancers and other fibrotic and inflammatory diseases	20190917
WO-2020236817-A2	Mcl-1 inhibitor antibody-drug conjugates and methods of use	20190520
WO-2020236825-A2	Mcl-1 inhibitor antibody-drug conjugates and methods of use	20190520
US-10787443-B2	RAF-degrading conjugate compounds	20170428

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	409.2675672
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	409.2675672
Rotatable Bond Count:	22
Topological Polar Surface Area:	108
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8