DBCO-PEG5-acid | CAS 1870899-46-9

Name: DBCO-PEG5-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0411
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C32H40N2O9
Molecular Weight	596.67

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Product Introduction

DBCO-PEG5-acid is a DBCO-terminated PEG linker ideal for azide-reactive SPAAC conjugation in antibody-drug conjugates. It supports site-specific, copper-free click chemistry, enhancing payload attachment and maintaining ADC stability in physiological environments.

Chemical Information
Product Specification
Computed Properties
Patents

Synonyms	DBCO-NHCO-PEG4-acid; 3-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; DBCO-Amide-PEG5-acid
Purity	>98.0%
Shelf Life	≥ 2 years
IUPAC Name	3-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCC(=O)O
InChI	InChI=1S/C32H40N2O9/c35-30(12-15-39-17-19-41-21-23-43-24-22-42-20-18-40-16-13-32(37)38)33-14-11-31(36)34-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)34/h1-8H,11-25H2,(H,33,35)(H,37,38)
InChIKey	IBWIRDQMNBYUPH-UHFFFAOYSA-N
Solubility	10 mm in DMSO
Appearance	Solid

Storage

Store at -5°C,keep in dry and avoid sunlight.

XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	21
Exact Mass	596.27338086 g/mol
Monoisotopic Mass	596.27338086 g/mol
Topological Polar Surface Area	133Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	902
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

Publication Number	Title	Priority Date
WO-2022155257-A1	Systems, apparatuses, and methods for cellular therapeutics manufacture	2021-01-12
WO-2022125874-A2	Methods for identification of exchangeable mhc binding peptides and methods of use thereof	2020-12-11
TW-202039008-A	Adcs with thiol multiplex linkers	2018-12-21
AU-2019403552-A1	ADCs with thiol multiplex linkers	2018-12-21
CA-3122316-A1	Adcs with thiol multiplex linkers	2018-12-21