Amino-bis-PEG3-DBCO

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Amino-bis-PEG3-DBCO

Amino-bis-PEG3-DBCO

Catelog Number R01-0297
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C63H79N7O14
Molecular Weight 1158.34
Catalog Number Size Price Quantity
R01-0297 -- $--

Product Introduction

Amino-bis-PEG3-DBCO is a cleavable 3 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms Amino-bis-PEG3-DBCO; HY-130972; CS-0119315
Purity >98.0%
Shelf Life 0-4℃ for short term (days to weeks), or -20℃ for long term (months).
IUPAC Name N-[2-[2-[2-[2-[3-[2-amino-3-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)N
InChI InChI=1S/C63H79N7O14/c64-55(47-83-31-25-60(73)67-29-35-79-39-43-81-41-37-77-33-27-65-58(71)21-23-62(75)69-45-53-13-3-1-9-49(53)17-19-51-11-5-7-15-56(51)69)48-84-32-26-61(74)68-30-36-80-40-44-82-42-38-78-34-28-66-59(72)22-24-63(76)70-46-54-14-4-2-10-50(54)18-20-52-12-6-8-16-57(52)70/h1-16,55H,21-48,64H2,(H,65,71)(H,66,72)(H,67,73)(H,68,74)
InChI Key IBHGLHHSWOQJHM-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Light yellow oil

Product Specification

Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 40
Exact Mass 1157.56850022 g/mol
Monoisotopic Mass 1157.56850022 g/mol
Topological Polar Surface Area 257Ų
Heavy Atom Count 84
Formal Charge 0
Complexity 1970
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
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