Androgen receptor antagonist 1

Name: Androgen receptor antagonist 1
Brand: MedChemExpress
SKU: HY-130992
Rating: 4.5 (1 reviews)

Cat. No.: HY-130992 Purity: 99.71%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Androgen receptor antagonist 1 is an orally available full androgen receptor (AR) antagonist with an IC₅₀ of 59 nM. Androgen receptor antagonist 1 (Compound 6) can be used in the synthesis of PROTAC AR degraders, which results 24% and 47 % AR protein degradation in LNCaP cells at 1 μM and 10 μM, respectively.

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

Androgen receptor antagonist 1 Chemical Structure

CAS No. : 1338812-36-4

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 495	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 495	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 450	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 800	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 1550	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 2350	In-stock	Estimated Time of Arrival: December 31
100 mg		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

Androgen receptor antagonist 1 is an orally available full androgen receptor (AR) antagonist with an IC₅₀ of 59 nM^[1]. Androgen receptor antagonist 1 (Compound 6) can be used in the synthesis of PROTAC AR degraders, which results 24% and 47 % AR protein degradation in LNCaP cells at 1 μM and 10 μM, respectively^[2].

IC₅₀ & Target

IC50: 59 nM (androgen receptor)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
CWR22R	IC₅₀	> 10 μM Compound: 6	Cytotoxicity against AR-positive human 22Rv1 cells assessed as inhibition of cell growth incubated for 7 days in regular culture medium by WST-8 assay Cytotoxicity against AR-positive human 22Rv1 cells assessed as inhibition of cell growth incubated for 7 days in regular culture medium by WST-8 assay	[PMID: 30629437]
LNCaP	IC₅₀	48 nM Compound: 6	Cytotoxicity against AR-positive human LNCaP cells assessed as inhibition of cell growth incubated for 7 days in presence of AR agonist, R1881 in charcoal stripped medium by WST-8 assay Cytotoxicity against AR-positive human LNCaP cells assessed as inhibition of cell growth incubated for 7 days in presence of AR agonist, R1881 in charcoal stripped medium by WST-8 assay	[PMID: 30629437]
LNCaP	IC₅₀	59 nM Compound: 26	Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay	[PMID: 21936524]
LNCaP	IC₅₀	64.5 nM Compound: 41	Antiproliferative activity against AR-positive human LNCAP cells incubated for 7 days in presence of AR agonist, R1881 by WST-8 assay Antiproliferative activity against AR-positive human LNCAP cells incubated for 7 days in presence of AR agonist, R1881 by WST-8 assay	[PMID: 31804827]
VCaP	IC₅₀	147.9 nM Compound: 6	Cytotoxicity against AR-positive human VCaP cells assessed as inhibition of cell growth incubated for 7 days in presence of AR agonist, R1881 in charcoal stripped medium by WST-8 assay Cytotoxicity against AR-positive human VCaP cells assessed as inhibition of cell growth incubated for 7 days in presence of AR agonist, R1881 in charcoal stripped medium by WST-8 assay	[PMID: 30629437]
VCaP	IC₅₀	182 nM Compound: 41	Antiproliferative activity against AR- positive human VCaP cells incubated for 7 days in presence of AR agonist, R1881 by WST-8 assay Antiproliferative activity against AR- positive human VCaP cells incubated for 7 days in presence of AR agonist, R1881 by WST-8 assay	[PMID: 31804827]

In Vitro

Androgen receptor antagonist 1 (Compound 26; 1 nM-100 μM) shows significant cell growth inhibition effects for LNCaP and LNAR cells but not DU145 cells^[1].

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

Cell Proliferation Assay^[1]

Cell Line:	Prostate cancer (CaP) cells (LNCAP, LNAR, and DU145)
Concentration:	1 nM, 10 nM, 100 nM, 1 μM, 10 μM, 100 μM
Incubation Time:	7 days
Result:	Antiproliferative effects of in LNCAP and LNAR cells.

In Vivo

Androgen receptor antagonist 1 (Compound 26; 100 mg/kg once a day for 5 weeks) demonstrates excellent in vivo tumor growth inhibition upon oral administration in a castration-resistant prostate cancer (CRPC) animal model^[1].

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

Animal Model:	Male athymic nude mice with LNCaP xenograft model of CRPC^[1]
Dosage:	100 mg/kg
Administration:	Orally once a day for 5 weeks
Result:	Demonstrated outstanding efficacy in inhibiting tumor growth. At the given doses (100 mg/kg once a day) nearly completely suppressed tumor growth (by 90 %) and the PSA levels (78%) after 5 weeks, with no detectable body weight loss for the period of time when animals were treated.

Molecular Weight

416.90

Formula

C₂₁H₂₅ClN₄O₃

CAS No.

1338812-36-4

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=CN(CCO)N=C1)N[C@H]2C(C)(C)[C@H](OC3=CC=C(C#N)C(Cl)=C3)C2(C)C

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (239.87 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	2.3987 mL	11.9933 mL	23.9866 mL
5 mM	0.4797 mL	2.3987 mL	4.7973 mL
10 mM	0.2399 mL	1.1993 mL	2.3987 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (6.00 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

Purity: 99.71%

Select Batch:

Data Sheet (272 KB) SDS (252 KB)

COA (245 KB) LCMS (94 KB)

Handling Instructions (2659 KB)

References

[1]. Guo C, et al. Discovery of aryloxy tetramethylcyclobutanes as novel androgen receptor antagonists. J Med Chem. 2011 Nov 10;54(21):7693-704. [Content Brief]

[2]. Han X, et al. Discovery of ARD-69 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Androgen Receptor (AR) for the Treatment of Prostate Cancer. J Med Chem. 2019 Jan 24;62(2):941-964. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.3987 mL	11.9933 mL	23.9866 mL	59.9664 mL
	5 mM	0.4797 mL	2.3987 mL	4.7973 mL	11.9933 mL
	10 mM	0.2399 mL	1.1993 mL	2.3987 mL	5.9966 mL
	15 mM	0.1599 mL	0.7996 mL	1.5991 mL	3.9978 mL
	20 mM	0.1199 mL	0.5997 mL	1.1993 mL	2.9983 mL
	25 mM	0.0959 mL	0.4797 mL	0.9595 mL	2.3987 mL
	30 mM	0.0800 mL	0.3998 mL	0.7996 mL	1.9989 mL
	40 mM	0.0600 mL	0.2998 mL	0.5997 mL	1.4992 mL
	50 mM	0.0480 mL	0.2399 mL	0.4797 mL	1.1993 mL
	60 mM	0.0400 mL	0.1999 mL	0.3998 mL	0.9994 mL
	80 mM	0.0300 mL	0.1499 mL	0.2998 mL	0.7496 mL
	100 mM	0.0240 mL	0.1199 mL	0.2399 mL	0.5997 mL