DBCO-SS-aldehyde

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DBCO-SS-aldehyde

DBCO-SS-aldehyde

Catelog Number R01-0277
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C28H27N3O6S2
Molecular Weight 565.66
Catalog Number Size Price Quantity
R01-0277 -- $--

Product Introduction

DBCO-SS-aldehyde is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Purity ≥95%
Shelf Life ≥ 2 years
IUPAC Name N-[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-oxopropyl]disulfanyl]ethyl]-4-formylbenzamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCSSCCNC(=O)C4=CC=C(C=C4)C=O
InChI InChI=1S/C31H29N3O4S2/c35-22-23-9-11-26(12-10-23)31(38)33-18-20-40-39-19-16-29(36)32-17-15-30(37)34-21-27-7-2-1-5-24(27)13-14-25-6-3-4-8-28(25)34/h1-12,22H,15-21H2,(H,32,36)(H,33,38)
InChI Key RQSKTIYFMRQDRL-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance white foam

Product Specification

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

Computed Properties

XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 571.15994876 g/mol
Monoisotopic Mass 571.15994876 g/mol
Topological Polar Surface Area 146Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 939
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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