Cyclooctyne-O-NHS ester

Name: Cyclooctyne-O-NHS ester
Brand: MedChemExpress
SKU: HY-126517
Rating: 4.5 (1 reviews)

Cat. No.: HY-126517 Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Cyclooctyne-O-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Cyclooctyne-O-NHS ester is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

For research use only. We do not sell to patients.

Cyclooctyne-O-NHS ester Chemical Structure

CAS No. : 1425803-45-7

Size	Price	Stock	Quantity
5 mg	USD 258	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 400	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 1800	Get quote	Estimated Time of Arrival: December 31
1 g	USD 2600	Get quote	Estimated Time of Arrival: December 31
5 g		Get quote
10 g		Get quote

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Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Cyclooctyne-O-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)^[1]. Cyclooctyne-O-NHS ester is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

IC₅₀ & Target^[1]

Cleavable Linker

In Vitro

ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

279.29

Formula

C₁₄H₁₇NO₅

CAS No.

1425803-45-7

Appearance

Solid

Color

White to off-white

SMILES

O=C(ON1C(CCC1=O)=O)COC2C#CCCCCC2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (358.05 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.5805 mL	17.9025 mL	35.8051 mL
5 mM	0.7161 mL	3.5805 mL	7.1610 mL
10 mM	0.3581 mL	1.7903 mL	3.5805 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 6.25 mg/mL (22.38 mM); Clear solution

This protocol yields a clear solution of ≥ 6.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (62.5 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (17.90 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (17.90 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: ≥98.0%

Select Batch:

Data Sheet (274 KB) SDS (393 KB)

COA (251 KB) HNMR (84 KB) MS (84 KB)

Handling Instructions (2659 KB)

References

[1]. Tao Wang, et al. Design and synthesis of tumor-targeting theranostic drug conjugates for SPECT and PET imaging studies. Bioorg Chem. 2018 Feb;76:458-467. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	3.5805 mL	17.9025 mL	35.8051 mL	89.5127 mL
	5 mM	0.7161 mL	3.5805 mL	7.1610 mL	17.9025 mL
	10 mM	0.3581 mL	1.7903 mL	3.5805 mL	8.9513 mL
	15 mM	0.2387 mL	1.1935 mL	2.3870 mL	5.9675 mL
	20 mM	0.1790 mL	0.8951 mL	1.7903 mL	4.4756 mL
	25 mM	0.1432 mL	0.7161 mL	1.4322 mL	3.5805 mL
	30 mM	0.1194 mL	0.5968 mL	1.1935 mL	2.9838 mL
	40 mM	0.0895 mL	0.4476 mL	0.8951 mL	2.2378 mL
	50 mM	0.0716 mL	0.3581 mL	0.7161 mL	1.7903 mL
	60 mM	0.0597 mL	0.2984 mL	0.5968 mL	1.4919 mL
	80 mM	0.0448 mL	0.2238 mL	0.4476 mL	1.1189 mL
	100 mM	0.0358 mL	0.1790 mL	0.3581 mL	0.8951 mL