Antitumor agent-171

Name: Antitumor agent-171
Brand: MedChemExpress
SKU: HY-163767
Rating: 4.5 (1 reviews)

Cat. No.: HY-163767 Purity: 98.48%: FAQs
Data Sheet
SDS

COA
Handling Instructions Technical Support

Antitumor agent-171 (Compound 35) is an inhibitor for β-catenin/BCL9 interaction with IC₅₀ of 1.61 μM. Antitumor agent-171 exhibits high affinity to β-catenin with K_d of 0.63 μM. Antitumor agent-171 inhibits the gene expression of axin2 with IC₅₀ of 0.84 μM. Antitumor agent-171 inhibits cell viability of HCT116 with IC₅₀ of 4.39 μM. Antitumor agent-171 activates T cells, promotes antigen presentation, and exhibits antitumor efficacy and good pharmacokinetic characteristics in mouse models.

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

Antitumor agent-171 Chemical Structure

CAS No. : 3003004-76-7

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
1 mg	In-stock	Estimated Time of Arrival: December 31
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	Get quote
200 mg	Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target

Kd: 0.63 μM (β-catenin);
IC₅₀: 1.61 μM (β-catenin/BCL9 interaction)

Molecular Weight

643.78

Formula

C₃₅H₄₅N₇O₅

CAS No.

3003004-76-7

Appearance

Solid

Color

White to off-white

SMILES

O=C(C(C)(OC1=CC(N2CCC[C@@H](C2)NC(N(CC3=CC=C(C=C3)C4=CNN=C4)C5CC5)=O)=CC=C1)C)NCC(N6CC[C@@H](C6)O)=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 : 200 mg/mL (310.67 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	1.5533 mL	7.7666 mL	15.5333 mL
5 mM	0.3107 mL	1.5533 mL	3.1067 mL
10 mM	0.1553 mL	0.7767 mL	1.5533 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
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: ≥ 5 mg/mL (7.77 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 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 (7.77 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 (7.77 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).

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: 98.48%

Select Batch:

Data Sheet (269 KB) SDS (251 KB)

COA (244 KB) HNMR (142 KB) RP-HPLC (246 KB) LCMS (106 KB)

Handling Instructions (2659 KB)

References

[1]. Zhu W, et al., Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting β-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J Med Chem. 2024 Jun 24. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.5533 mL	7.7666 mL	15.5333 mL	38.8331 mL
	5 mM	0.3107 mL	1.5533 mL	3.1067 mL	7.7666 mL
	10 mM	0.1553 mL	0.7767 mL	1.5533 mL	3.8833 mL
	15 mM	0.1036 mL	0.5178 mL	1.0356 mL	2.5889 mL
	20 mM	0.0777 mL	0.3883 mL	0.7767 mL	1.9417 mL
	25 mM	0.0621 mL	0.3107 mL	0.6213 mL	1.5533 mL
	30 mM	0.0518 mL	0.2589 mL	0.5178 mL	1.2944 mL
	40 mM	0.0388 mL	0.1942 mL	0.3883 mL	0.9708 mL
	50 mM	0.0311 mL	0.1553 mL	0.3107 mL	0.7767 mL
	60 mM	0.0259 mL	0.1294 mL	0.2589 mL	0.6472 mL
	80 mM	0.0194 mL	0.0971 mL	0.1942 mL	0.4854 mL
	100 mM	0.0155 mL	0.0777 mL	0.1553 mL	0.3883 mL