endo-BCN-PEG4-acid | 1421932-54-8

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

Catalog Number	Size	Price	Quantity
R16-0016	--	$--

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Product Introduction

endo-BCN-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG4-acid can be used in the synthesis of a series of PROTACs.

Synonyms	BCN-PEG4-acid (exo)
Purity	95%
IUPAC Name	3-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCC(=O)O)CCC#C1
InChI	InChI=1S/C22H35NO8/c24-21(25)7-9-27-11-13-29-15-16-30-14-12-28-10-8-23-22(26)31-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17H2,(H,23,26)(H,24,25)
InChI Key	MOPSTLKSTPBGBX-UHFFFAOYSA-N
Solubility	DCM, THF, Acetonitrile, DMF and DMSO
Appearance	Colorless oil

Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
Signal	Warning
GHS Hazard Statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Exact Mass	441.23626707 g/mol
Monoisotopic Mass	441.23626707 g/mol
Topological Polar Surface Area	113Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Publication Number	Title	Priority Date
WO-2022120132-A1	Antibody-oligonucleotide complexes and uses thereof	2020-12-04
US-2018155389-A1	Steroids and protein-conjugates thereof	2016-11-08
US-10711032-B2	Steroids and protein-conjugates thereof	2016-11-08
US-2021040144-A1	Steroids and protein-conjugates thereof	2016-11-08