DBCO-PEG5-acid

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DBCO-PEG5-acid

DBCO-PEG5-acid | 1870899-46-9

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

Product Introduction

DBCO-Amide-PEG5-acid is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

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)
InChI Key IBWIRDQMNBYUPH-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -5°C,keep in dry and avoid sunlight.

Computed Properties

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 133Ų
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

Patents

Publication NumberTitlePriority 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
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