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DOTA-NHS-ester

Alias: DOTANHSester DOTA NHS ester
Cat No.:V39029 Purity: ≥98%
DOTA-NHS-ester is a novel and potent linker for affibody molecules.
DOTA-NHS-ester
DOTA-NHS-ester Chemical Structure CAS No.: 170908-81-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
Other Sizes

Other Forms of DOTA-NHS-ester:

  • DOTA-tris(tBu)ester NHS ester
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description

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.

Biological Activity I Assay Protocols (From Reference)
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]. Hoppmann S, et al. Radiolabeled affibody-albumin bioconjugates for HER2-positive cancer targeting.Bioconjug Chem. 2011 Mar 16;22(3):413-2
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₂₀H₃₁N₅O₁₀
Molecular Weight
501.49
CAS #
170908-81-3
Related CAS #
DOTA-tris(tBu)ester NHS ester;819869-77-7
Appearance
Typically exists as solids (or liquids in special cases) at room temperature
SMILES
OC(CN1CCN(CC(=O)O)CCN(CC(ON2C(=O)CCC2=O)=O)CCN(CC(=O)O)CC1)=O
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)
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.

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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

*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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
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  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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