Cat. No.: HY-111503

Y06137

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Based on 1 Customer Validation

Y06137 is a potent and selective BET inhibitor for treatment of castration-resistant prostate cancer (CRPC). Y06137 binds to the BRD4(1) bromodomain with a K_d of 81 nM.

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

Purity: 98.39%
CAS No.: 2226534-49-0
Formula: C₂₇H₃₂N₄O₂
Molecular Weight:444.57

Storage:

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

Y06137 Chemical Structure

CAS No.: 2226534-49-0

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Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

Y06137 is a potent and selective BET inhibitor for treatment of castration-resistant prostate cancer (CRPC). Y06137 binds to the BRD4(1) bromodomain with a K_d of 81 nM^[1].

IC₅₀ & Target^[1]

BRD4(1)

81 nM (Kd)

All Epigenetic Reader Domain Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	2.5 μM Compound: 7m	Antiproliferative activity against human A549 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against human A549 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
CWR22R	IC₅₀	0.7 μM Compound: 7m	Antiproliferative activity against AR-positive human 22Rv1 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay Antiproliferative activity against AR-positive human 22Rv1 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay	[PMID: 29566488]
DU-145	IC₅₀	>6 μM Compound: 7m	Antiproliferative activity against AR-negative human DU-145 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against AR-negative human DU-145 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
HeLa	IC₅₀	>5 μM Compound: 7m	Antiproliferative activity against human HeLa cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against human HeLa cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
HFL1	IC₅₀	15.9 μM Compound: 7m	Cytotoxicity against human HFL1 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Cytotoxicity against human HFL1 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
Hs-578T	IC₅₀	1 μM Compound: 7m	Antiproliferative activity against human Hs-578T cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against human Hs-578T cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
HT-29	IC₅₀	0.4 μM Compound: 7m	Antiproliferative activity against human HT-29 cells assessed as reduction in cell viability incubated for 120 hrs by cell-titer glo assay Antiproliferative activity against human HT-29 cells assessed as reduction in cell viability incubated for 120 hrs by cell-titer glo assay	[PMID: 29566488]
LNCaP	IC₅₀	0.47 μM Compound: 7m	Antiproliferative activity against AR-positive human LNCAP cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay Antiproliferative activity against AR-positive human LNCAP cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay	[PMID: 29566488]
LNCaP C4-2B	IC₅₀	0.84 μM Compound: 7m	Antiproliferative activity against AR-positive human C4-2B cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay Antiproliferative activity against AR-positive human C4-2B cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay	[PMID: 29566488]
MCF7	IC₅₀	1 μM Compound: 7m	Antiproliferative activity against human MCF-7 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay Antiproliferative activity against human MCF-7 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay	[PMID: 29566488]
MV4-11	IC₅₀	0.4 μM Compound: 7m	Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 120 hrs by cell-titer glo assay Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 120 hrs by cell-titer glo assay	[PMID: 29566488]
NCI-H1975	IC₅₀	>5 μM Compound: 7m	Antiproliferative activity against human NCI-H1975 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against human NCI-H1975 cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
PC-3	IC₅₀	>3 μM Compound: 7m	Antiproliferative activity against AR-negative human PC-3 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay Antiproliferative activity against AR-negative human PC-3 cells assessed as reduction in cell viability incubated for 96 hrs by cell-titer glo assay	[PMID: 29566488]
U2OS	IC₅₀	>5 μM Compound: 7m	Antiproliferative activity against human U2OS cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay Antiproliferative activity against human U2OS cells assessed as reduction in cell viability incubated for 72 hrs by cell-titer glo assay	[PMID: 29566488]
VCaP	IC₅₀	0.29 μM Compound: 7m	Antiproliferative activity against AR-positive human VCaP cells assessed as reduction in cell viability incubated for 144 hrs by cell-titer glo assay Antiproliferative activity against AR-positive human VCaP cells assessed as reduction in cell viability incubated for 144 hrs by cell-titer glo assay	[PMID: 29566488]

In Vitro

Y06137 (0.001-100 nM, 96 hours for LNCaP, C4-2B, and 22Rv1 cells; 144 hours for VCaP cells) exhibits low micromolar or nanomolar potencies (IC₅₀: 0.29-2.6 μΜ) in the four androgen receptor (AR)-positive prostate cancer cell lines LNCaP, C4-2B, 22Rv1, and VCaP. Treatment of 22Rv1 cells with Y06137 (1, 2, 4, 8, and 16 μM, 48 hours) results in significant down-regulation of both full-length (AR-fl) and AR variants levels^[1].

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

Cell Viability Assay^[1]

Cell Line:

AR-positive prostate cancer cell lines LNCaP, C4-2B, 22Rv1, and VCaP
Concentration:

0.001-100 μM
Incubation Time:

96 hours for LNCaP, C4-2B, and 22Rv1; 144 hours for VCaP
Result:

Inhibited LNCaP, C4-2B, 22Rv1, and VCaP cells with IC₅₀s of 0.47, 0.84, 0.70, 0.29 μM, respectively.

Western Blot Analysis^[1]

Cell Line:

AR-positive prostate cancer cell lines 22Rv1
Concentration:

1, 2, 4, 8, and 16 μM
Incubation Time:

48 hours
Result:

Resulted in significant down-regulation of both AR-fl and AR variants levels.

In Vivo

Y06137 (50 mg/kg, i.p. injection, 5 times per week, 25 days) demonstrates therapeutic effects in a C4-2B CRPC xenograft tumor model in mice. Y06137 is well tolerated in the treated mice, based on the weight of the animal body and their general behavior^[1].

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

Animal Model:

Four-week-old male mice (strain: C.B-17/IcrHsd-Prkdc^scid for C4-2B) with C4-2B mouse xenograft model^[1]
Dosage:

50 mg/kg, 100 μL
Administration:

Intraperitoneal (i.p.) injection, 5 times per week, 25 days
Result:

Exhibited strong antitumor activities during the 25-day treatment period, with a tumor growth inhibition (TGI) of 51%.

Chemical Information

CAS No. 2226534-49-0
Appearance Solid
Molecular Weight 444.57
Formula C₂₇H₃₂N₄O₂
Color White to off-white
SMILES

CC1=NOC(C1=C2)=CC=C2C3=NC(C=C4)=C(N3CC5CCCCC5)C=C4N6CCOC[C@@H]6C
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 : 62.5 mg/mL (140.59 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.2494 mL

11.2468 mL

22.4936 mL

5 mM

0.4499 mL

2.2494 mL

4.4987 mL

10 mM

0.2249 mL

1.1247 mL

2.2494 mL

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

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

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In Vivo:

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

Stock Solution Working Solution

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: ≥ 2.08 mg/mL (4.68 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.08 mg/mL (4.68 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 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 (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (277 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Zhang M, et al. Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC). J Med Chem. 2018 Apr 12;61(7):3037-3058. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.2494 mL	11.2468 mL	22.4936 mL	56.2341 mL
	5 mM	0.4499 mL	2.2494 mL	4.4987 mL	11.2468 mL
	10 mM	0.2249 mL	1.1247 mL	2.2494 mL	5.6234 mL
	15 mM	0.1500 mL	0.7498 mL	1.4996 mL	3.7489 mL
	20 mM	0.1125 mL	0.5623 mL	1.1247 mL	2.8117 mL
	25 mM	0.0900 mL	0.4499 mL	0.8997 mL	2.2494 mL
	30 mM	0.0750 mL	0.3749 mL	0.7498 mL	1.8745 mL
	40 mM	0.0562 mL	0.2812 mL	0.5623 mL	1.4059 mL
	50 mM	0.0450 mL	0.2249 mL	0.4499 mL	1.1247 mL
	60 mM	0.0375 mL	0.1874 mL	0.3749 mL	0.9372 mL
	80 mM	0.0281 mL	0.1406 mL	0.2812 mL	0.7029 mL
	100 mM	0.0225 mL	0.1125 mL	0.2249 mL	0.5623 mL

Keywords

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Y06137

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Reprogramming Compound Library

Anti-Blood Cancer Compound Library

Anti-Prostate Cancer Compound Library

Highly Selective Inhibitors Library

Anti-Drug-Resistant Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All Epigenetic Reader Domain Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Y06137

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Reprogramming Compound Library

Anti-Blood Cancer Compound Library

Anti-Prostate Cancer Compound Library

Highly Selective Inhibitors Library

Anti-Drug-Resistant Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All Epigenetic Reader Domain Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Y06137 Related Classifications

HY-111503 Related Classifications