2. GPCR/G Protein Immunology/Inflammation
  3. CXCR Apelin Receptor (APJ) Arrestin
  4. ML339

ML339 is a selective CXCR6 antagonist with an IC50 of 140 nM. ML339 antagonizes β-arrestin recruitment and cAMP signaling pathway of human CXCR6 receptor induced by CXCL16, with IC50 of 0.3 μM and 1.4 μM, respectively. ML339 shows weaker activity against the recruitment of β-arrestin in mouse CXCR6 receptors, with an IC50 of 18 μM. ML339 has no inhibitory effect on CXCR5，CXCR4，CXCR6 and apelin receptor (APJ), with IC50 >79 μM. ML339 has the potential to promote the development of prostate cancer research.

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

ML339 Chemical Structure

ML339 Chemical Structure

CAS No. : 2579689-83-9

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Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
 USD 121 In-stock
Solution
10 mM * 1 mL in DMSO USD 121 In-stock
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5 mg USD 110 In-stock
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Based on 1 publication(s) in Google Scholar

ML339 Related Antibodies

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CXCR CXCR1 CXCR2 CXCR3 CXCR4 CXCR7 CXCR6

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  • Purity & Documentation

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Description

ML339 is a selective CXCR6 antagonist with an IC50 of 140 nM. ML339 antagonizes β-arrestin recruitment and cAMP signaling pathway of human CXCR6 receptor induced by CXCL16, with IC50 of 0.3 μM and 1.4 μM, respectively. ML339 shows weaker activity against the recruitment of β-arrestin in mouse CXCR6 receptors, with an IC50 of 18 μM. ML339 has no inhibitory effect on CXCR5，CXCR4，CXCR6 and apelin receptor (APJ), with IC50 >79 μM. ML339 has the potential to promote the development of prostate cancer research[1][2].

IC50 & Target[1]

CXCR6

140 nM (IC50)

In Vitro

ML339 doesn’t have a broad affinity for G protein-coupled receptors (GPCRs) and only shows moderate activity for 5-HT2B and DAT at a concentration of 10 μM in competitive binding assays[1].
ML339 exhibits high plasma protein binding[1].
ML339 shows good stability in human plasma but only moderate stability in mouse plasma[1].
ML339 is non-toxic to immortalized Fa2-N4 human liver cells, with an LC50 greater than 50 μM[1].

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

ML339 Related Antibodies
Molecular Weight

502.00

Formula

C26H32ClN3O5
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=CC(OC)=C(C(OC)=C1)OC)N[C@@H]2C[C@@H](CCC[C@H]3C2)N3CC(NC4=CC=CC=C4Cl)=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 : 75 mg/mL (149.40 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 1.9920 mL 9.9602 mL 19.9203 mL
5 mM 0.3984 mL 1.9920 mL 3.9841 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)

Mass
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Concentration
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Volume
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Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

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Volume (start)

V1

=
Concentration (final)

C2

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Volume (final)

V2

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: ≥ 3.75 mg/mL (7.47 mM); Clear solution

    This protocol yields a clear solution of ≥ 3.75 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 (37.5 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)

g

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: 99.88%

COA (249 KB) HNMR (287 KB) LCMS (267 KB)

Handling Instructions (2659 KB)
References

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.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.9920 mL 9.9602 mL 19.9203 mL 49.8008 mL
5 mM 0.3984 mL 1.9920 mL 3.9841 mL 9.9602 mL
10 mM 0.1992 mL 0.9960 mL 1.9920 mL 4.9801 mL
15 mM 0.1328 mL 0.6640 mL 1.3280 mL 3.3201 mL
20 mM 0.0996 mL 0.4980 mL 0.9960 mL 2.4900 mL
25 mM 0.0797 mL 0.3984 mL 0.7968 mL 1.9920 mL
30 mM 0.0664 mL 0.3320 mL 0.6640 mL 1.6600 mL
40 mM 0.0498 mL 0.2490 mL 0.4980 mL 1.2450 mL
50 mM 0.0398 mL 0.1992 mL 0.3984 mL 0.9960 mL
60 mM 0.0332 mL 0.1660 mL 0.3320 mL 0.8300 mL
80 mM 0.0249 mL 0.1245 mL 0.2490 mL 0.6225 mL
100 mM 0.0199 mL 0.0996 mL 0.1992 mL 0.4980 mL
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ML339 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:

ML3392579689-83-9ML 339ML-339CXCRApelin Receptor (APJ)ArrestinCXC chemokine receptorsC-X-C motif chemokine receptorsCXCR6prostatecancerInhibitorinhibitorinhibit

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