endo-BCN-PEG3-NH2

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endo-BCN-PEG3-NH2

endo-BCN-PEG3-NH2 | 1883512-27-3

Catalog Number R16-0031
Category BCN
Molecular Formula C₁₉H₃₂N₂O₅
Molecular Weight 368.47
Catalog Number Size Price Quantity
R16-0031 -- $--

Product Introduction

endo-BCN-PEG3-NH2 is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG3-NH2 can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms BCN-PEG3-amine (endo)
Purity >90%
IUPAC Name [(1R,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCOCCN)CCC#C1
InChI InChI=1S/C19H32N2O5/c20-7-9-23-11-13-25-14-12-24-10-8-21-19(22)26-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15,20H2,(H,21,22)/t16-,17-/m1/s1
InChI Key WICZFPOMYSGZNG-IAGOWNOFSA-N
Solubility DCM, THF, acetonitrile, DMF and DMSO
Appearance Oil
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 14
Exact Mass 368.23112213 g/mol
Monoisotopic Mass 368.23112213 g/mol
Topological Polar Surface Area 92Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 455
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
US-2021221835-A1 Carbon-monoxide-releasing molecules and therapeutic applications thereof 2016-11-16
US-2018133340-A1 Antibody-drug conjugates 2016-11-14
US-2019328895-A1 Antibody-drug conjugates 2016-11-14
US-2018100026-A1 Optimized chimeric receptor t cell switches and uses thereof 2015-04-15
WO-2016168766-A1 Optimized chimeric receptor t cell switches and uses thereof 2015-04-15
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