DOTA-NHS-ester is a novel and potent linker for affibody molecules. It is applied in small animals PET, SPECT, and CT. DOTA-NHS-ester can be used to label radiotherapeutic agents or imaging probes for the detection of tumors.
Physicochemical Properties
| Molecular Formula | C₂₀H₃₁N₅O₁₀ |
| Molecular Weight | 501.49 |
| Exact Mass | 501.207 |
| CAS # | 170908-81-3 |
| Related CAS # | DOTA-tris(tBu)ester NHS ester;819869-77-7 |
| PubChem CID | 11488945 |
| Appearance | White to off-white solid powder |
| LogP | -8.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 35 |
| Complexity | 774 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XSVWFLQICKPQAA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33) |
| Chemical Name | 2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| Synonyms | DOTANHSester DOTA NHS ester |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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
| ln Vitro | DOTA-NHS-ester is capable of altering human serum albumin (HSA) to create DOTA-HSA. DOTA-HSA-SMCC was then created by further modifying DOTA-HSA with Sulfo-SMCC. The result of conjugating DOTA-HSA-SMCC with ZHER2:342 is DOTA-HSA-ZHER2:342[1]. 64Cu was added to DOTA-HSA-ZHER2:342 in the cellular uptake assay. 64Cu-DOTA-HSA-ZHER2:342 accumulated gradually in SKOV3 cells over the course of 0.5-2 hours, reaching 0.71% of the applied activity at 0.5 hours 2. At h, the rate of absorption rises to 1.58%[1]. |
| ln Vivo | MicroPET pictures of mice with SKOV3 tumors were obtained after the mice's tail was injected with 64Cu-DOTA-HSA-ZHER2:342. Mice with SKOV3 tumors were imaged using microPET at 1, 4, 24, and 48 hours following tail vein injection. after one hour after injection (pi), SKOV3 tumors were evident with low tumor-to-background contrast; however, after four and twenty-four hours after injection, the tumor-to-background contrast was very good. SKOV3 tumor uptake values rose throughout time, according to quantitative analysis, reaching 5.63%, 9.98%, 14.34%, and 14.12% ID/g at 1, 4, 24, and 48 hours, respectively [1]. |
| References |
[1]. Radiolabeled affibody-albumin bioconjugates for HER2-positive cancer targeting.Bioconjug Chem. 2011 Mar 16;22(3):413-2. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~99.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.99 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 (4.99 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.99 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9941 mL | 9.9703 mL | 19.9406 mL | |
| 5 mM | 0.3988 mL | 1.9941 mL | 3.9881 mL | |
| 10 mM | 0.1994 mL | 0.9970 mL | 1.9941 mL |