p-SCN-Bn-HOPO

Cat. No.: HY-136952: Data Sheet
SDS
Handling Instructions
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p-SCN-Bn-HOPO is a bifunctional chelator that forms stable octadentate complexes with Zr (IV) and ⁸⁹Zr⁴⁺ via four 1,2-hydroxypyridone groups. p-SCN-Bn-HOPO conjugates with antibodies through the formation of thiourea bonds with lysine residues, and enables efficient ⁸⁹Zr radiolabeling under mild conditions. p-SCN-Bn-HOPO inhibits bone uptake of free radiometals, stabilizes radiometal-antibody conjugates, and achieves PET imaging with low background and enhanced tumor-to-organ contrast. p-SCN-Bn-HOPO can be used in breast cancer-related research.

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

p-SCN-Bn-HOPO Chemical Structure

CAS No. : 1822331-55-4

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Description

IC₅₀ & Target^[1]

RDC Bifunctional Chelator

In Vitro

The conjugate of p-SCN-Bn-HOPO and Trastuzumab (HY-P9907) (administered for 7 days) retains approximately 90% stability in serum after 7 days, with a specific activity of up to approximately 2 mCi/mg^[1].
⁸⁹Zr-p-SCN-Bn-HOPO-trastuzumab (60 min; room temperature) retains high immunoreactivity against BT474 breast cancer cells, with an immunoreactivity score of 92.4%^[2].

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

In Vivo

⁸⁹Zr-p-SCN-Bn-HOPO-trastuzumab (0.59-9.99 MBq; i.v. tail vein injection) achieves good BT474 tumor uptake (61.9 %ID/g at 336 h) and a 25.8 tumor:bone ratio at 336 h, with drastically reduced bone uptake indicating superior in vivo stability of the ⁸⁹Zr-p-SCN-Bn-HOPO complex^[2].

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

Animal Model:	athymic nude mice (female)^[2]
Dosage:	9.25-9.99 MBq (PET imaging); 0.59-0.67 MBq (biodistribution studies)
Administration:	i.v. tail vein injection
Result:	Showed good tumor uptake and markedly reduced bone uptake compared to the control conjugate. Confirmed tumor uptake of 29.0 %ID/g at 24 h, 54.7 %ID/g at 72 h, 68.8 %ID/g at 120 h, 70.4 %ID/g at 168 h, 39.6 %ID/g at 216 h, and 61.9 %ID/g at 336 h. Confirmed bone uptake of 2.6 %ID/g at 24 h, 2.7 %ID/g at 72 h, 2.0 %ID/g at 120 h, 2.5 %ID/g at 168 h, 2.5 %ID/g at 216 h, and 2.4 %ID/g at 336 h. Achieved tumor:bone ratio of 25.8 at 336 h. Achieved tumor:blood ratio of 14.4 at 336 h.

Molecular Weight

911.94

Formula

C₄₃H₄₅N₉O₁₂S

CAS No.

1822331-55-4

Appearance

Solid

Color

White to off-white

SMILES

O=C(N(CCC1=CC=C(N=C=S)C=C1)CCCN(C(C(N2O)=CC=CC2=O)=O)CCCCN(C(C(N3O)=CC=CC3=O)=O)CCCNC(C(N4O)=CC=CC4=O)=O)C(N5O)=CC=CC5=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (109.66 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	1.0966 mL	5.4828 mL	10.9656 mL
5 mM	0.2193 mL	1.0966 mL	2.1931 mL
10 mM	0.1097 mL	0.5483 mL	1.0966 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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
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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: ≥ 2.5 mg/mL (2.74 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: 2.5 mg/mL (2.74 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (2.74 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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).

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

Data Sheet (274 KB) SDS (252 KB) Handling Instructions (2659 KB)

References

[1]. Bhupathiraju NVSDK, et al. Improved synthesis of the bifunctional chelator p-SCN-Bn-HOPO. Org Biomol Chem. 2019;17(28):6866-6871. [Content Brief]

[2]. Deri MA, et al. p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET. Bioconjug Chem. 2015;26(12):2579-2591. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.0966 mL	5.4828 mL	10.9656 mL	27.4141 mL
	5 mM	0.2193 mL	1.0966 mL	2.1931 mL	5.4828 mL
	10 mM	0.1097 mL	0.5483 mL	1.0966 mL	2.7414 mL
	15 mM	0.0731 mL	0.3655 mL	0.7310 mL	1.8276 mL
	20 mM	0.0548 mL	0.2741 mL	0.5483 mL	1.3707 mL
	25 mM	0.0439 mL	0.2193 mL	0.4386 mL	1.0966 mL
	30 mM	0.0366 mL	0.1828 mL	0.3655 mL	0.9138 mL
	40 mM	0.0274 mL	0.1371 mL	0.2741 mL	0.6854 mL
	50 mM	0.0219 mL	0.1097 mL	0.2193 mL	0.5483 mL
	60 mM	0.0183 mL	0.0914 mL	0.1828 mL	0.4569 mL
	80 mM	0.0137 mL	0.0685 mL	0.1371 mL	0.3427 mL
	100 mM	0.0110 mL	0.0548 mL	0.1097 mL	0.2741 mL

p-SCN-Bn-HOPO Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

p-SCN-Bn-HOPO1822331-55-4Biochemical Assay ReagentsRadionuclide-Drug Conjugates (RDCs)Zr(IV)1,2-hydroxypyridinone groupsbreast cancerlysine residueshuman serumthiourea bondsradioimmunoPET imaging89Zr4+BT474 breast cancer cellstrastuzumabInhibitorinhibitorinhibit

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p-SCN-Bn-HOPO

p-SCN-Bn-HOPO Related Antibodies

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References

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