DBCO-C3-Acid is a click chemistry intermediate. DBCO-C3-Acid may be utilized to prepare ADC linker.

Physicochemical Properties

Molecular Formula	C20H17NO3
Molecular Weight	319.35
Exact Mass	319.12
CAS #	1207355-31-4
PubChem CID	85470609
Appearance	Off-white to brown solid powder
Density	1.3±0.1 g/cm3
Boiling Point	635.5±55.0 °C at 760 mmHg
Flash Point	338.2±31.5 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.666
LogP	4.18
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	544
Defined Atom Stereocenter Count	0
SMILES	O=C(CCCC(=O)O)N1C2C=CC=CC=2C#CC2C=CC=CC=2C1
InChi Key	KDYPHAQTQRXDCD-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H17NO3/c22-19(10-5-11-20(23)24)21-14-17-8-2-1-6-15(17)12-13-16-7-3-4-9-18(16)21/h1-4,6-9H,5,10-11,14H2,(H,23,24)
Chemical Name	5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoic acid
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 Conjugation of Toxic Payloads to the Globally Conserved N-Glycan of Native mAbs Provides Homogeneous and Highly Efficacious Antibody-Drug Conjugates. Bioconjug Chem. 2015;26(11):2233-2242.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (313.14 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.83 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 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. Solubility in Formulation 2: 2.5 mg/mL (7.83 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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	3.1314 mL	15.6568 mL	31.3136 mL
	5 mM	0.6263 mL	3.1314 mL	6.2627 mL
	10 mM	0.3131 mL	1.5657 mL	3.1314 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.