DBCO-NHS ester 2 is a degradable linker used to prepare Antibody-drug conjugates (ADC). It is a diphenylcyclooctanone (DBCO) analogue and is used for copper-free click reactions. DBCO-NHS ester 2 is a reagent for click chemistry. It has a DBCO group and could undergo SPAAC (Strain-promoted alkyne-azide cycloaddition) with compounds bearing an Azide (N3) moiety.

Physicochemical Properties

Molecular Formula	C25H22N2O5
Molecular Weight	430.452586650848
Exact Mass	430.152
CAS #	1384870-47-6
PubChem CID	86580459
Appearance	White to light yellow solid powder
LogP	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	32
Complexity	809
Defined Atom Stereocenter Count	0
SMILES	O(C(CCCCC(N1C2C=CC=CC=2C#CC2C=CC=CC=2C1)=O)=O)N1C(CCC1=O)=O
InChi Key	CATTUKBAYDNTEG-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H22N2O5/c28-22(11-5-6-12-25(31)32-27-23(29)15-16-24(27)30)26-17-20-9-2-1-7-18(20)13-14-19-8-3-4-10-21(19)26/h1-4,7-10H,5-6,11-12,15-17H2
Chemical Name	(2,5-dioxopyrrolidin-1-yl) 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Chemoenzymatic synthesis of glycoengineered IgG antibodies and glycosite-specific antibody-drug conjugates. Nat Protoc. 2017 Aug;12(8):1702-1721.

Solubility Data

Solubility (In Vitro)

DMSO : ~14.29 mg/mL (~33.20 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.43 mg/mL (3.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3232 mL	11.6158 mL	23.2315 mL
	5 mM	0.4646 mL	2.3232 mL	4.6463 mL
	10 mM	0.2323 mL	1.1616 mL	2.3232 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.