DBCO-C6-acid, an analog of DBCO-Acid with an extended 6-carbon atom spacer arm, is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). DBCO-C6-acid can be used in the synthesis of carmaphycin analogues.
Physicochemical Properties
| Molecular Formula | C21H19NO3 |
| Molecular Weight | 333.380465745926 |
| Exact Mass | 333.136 |
| Elemental Analysis | C, 75.66; H, 5.74; N, 4.20; O, 14.40 |
| CAS # | 1425485-72-8 |
| PubChem CID | 77078156 |
| Appearance | Off-white to light brown solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 634.4±55.0 °C at 760 mmHg |
| Flash Point | 337.5±31.5 °C |
| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
| Index of Refraction | 1.654 |
| LogP | 4.48 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 25 |
| Complexity | 558 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(CCCCC(=O)O)N1C2C=CC=CC=2C#CC2C=CC=CC=2C1 |
| InChi Key | NIRLBCOFKPVQLM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25) |
| Chemical Name | 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoic acid |
| HS Tariff Code | 2934.99.03.00 |
| 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
| Targets | Non-cleavable Linker |
| ln Vitro | ADCs are made up of an antibody and an ADC cytotoxin that are joined together by an ADC linker. |
| References |
[1]. Exploration of the carmaphycins as payloads in antibody drug conjugate anticancer agents.Eur J Med Chem . 2019 Jan 1;161:416-432. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~299.96 mM） |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.50 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 sonication. 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 | 2.9996 mL | 14.9979 mL | 29.9958 mL | |
| 5 mM | 0.5999 mL | 2.9996 mL | 5.9992 mL | |
| 10 mM | 0.3000 mL | 1.4998 mL | 2.9996 mL |