CXCR7 modulator 2
Based on 1 Customer Validation
CXCR7 modulator 2 is a modulator of C-X-C Chemokine Receptor Type 7 (CXCR7), with a Ki of 13 nM.
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- Pureté: 98.71%
- CAS No.: 2227426-37-9
- Formule: C29H42N6O3
- Masse moléculaire:522.68
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Stockage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Protocole
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
Description
IC50 & Target
[1]|
CXCR7 13 nM (Ki) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK293 | IC50 |
8300 nM
Compound: 18
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Inhibition of human ERG expressed in HEK293 cells by patch clamp method
Inhibition of human ERG expressed in HEK293 cells by patch clamp method
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[PMID: 29627981] |
In Vitro
CXCR7 modulator 2 (compound 18) demonstrates potent CXCR7-binding affinity (Ki=13 nM) and β-arrestin activity (EC50=11 nM). CXCR7 modulator 2 also exhibits improved selectivity in the GPCR panel and an improved therapeutic index in the hERG patch-clamp assay in comparison with 11c. CXCR7 modulator 2 exhibits moderate to high in vitro turn over in both NADPH-supplemented mouse-liver microsomes (MLM, 93 μL/min/mg) and hepatocytes (28 μL/min per million cells), shows poor passive absorptive permeability in the MDCK II-permeability assay, and has good aqueous solubility. CXCR7 modulator 2 is rapidly absorbed with a mean maximal plasma concentration (Cmax) of 682 ng/mL, which occurrs at 0.25 h (Tmax). The corresponding mean area under the plasma-concentration-versus-time profile (AUC) is 740 ng/mL/h[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2227426-37-9
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Appearance Solid
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Masse moléculaire 522.68
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Formule C29H42N6O3
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Color Light yellow to yellow
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SMILES
O=C([C@@H]1[C@H](O2)CC[C@H]2C1)N3CCC([C@H](CC(N)=O)N4CCCN(C5=C(CC)C=CN6C5=NC=C6)CC4)CC3
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Solvant et solubilité
In Vitro:
DMSO : 250 mg/mL (478.30 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
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.
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.
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.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (3.98 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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (3.98 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 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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%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
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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.
Protocole
Cell Assay[1]
Measurements of potassium currents in HEK293 cells are stably transfected with the hERG channel[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration[1]
Mice[1]
A total of 60 male BALB/c mice (8 weeks of age) are randomized into four study groups. In two groups, isoproterenol (5 mg/kg) is administered subcutaneously once daily for 9 days to induce cardiac fibrosis. In addition, the mice in these two groups are further treated twice daily throughout the 9 day study duration with either CXCR7 modulator 2 at 30 mg/kg (n=20) or the vehicle (n=20). The mice in the third group receives PBS and the vehicle and thus serves as controls (n=15). The fourth group (n=5), which receives both isoproterenol and CXCR7 modulator 2, are used for blood sampling at 1 and 9 h postdose on days 1, 3, 6, and 9 (1 h only) to provide an overall estimate of CXCR7 coverage relative to mouse Ki. The exposures to CXCR7 modulator 2 achieved in the BALB/c mice at the 30 mg/kg dose are approximately as expected, with the unbound Cave>95% target coverage[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Pureté et documentation
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Fiche technique (278 KB)
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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)
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Instruction de manipulation (2659 KB)
Références
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.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.9132 mL | 9.5661 mL | 19.1322 mL | 47.8304 mL |
| 5 mM | 0.3826 mL | 1.9132 mL | 3.8264 mL | 9.5661 mL | |
| 10 mM | 0.1913 mL | 0.9566 mL | 1.9132 mL | 4.7830 mL | |
| 15 mM | 0.1275 mL | 0.6377 mL | 1.2755 mL | 3.1887 mL | |
| 20 mM | 0.0957 mL | 0.4783 mL | 0.9566 mL | 2.3915 mL | |
| 25 mM | 0.0765 mL | 0.3826 mL | 0.7653 mL | 1.9132 mL | |
| 30 mM | 0.0638 mL | 0.3189 mL | 0.6377 mL | 1.5943 mL | |
| 40 mM | 0.0478 mL | 0.2392 mL | 0.4783 mL | 1.1958 mL | |
| 50 mM | 0.0383 mL | 0.1913 mL | 0.3826 mL | 0.9566 mL | |
| 60 mM | 0.0319 mL | 0.1594 mL | 0.3189 mL | 0.7972 mL | |
| 80 mM | 0.0239 mL | 0.1196 mL | 0.2392 mL | 0.5979 mL | |
| 100 mM | 0.0191 mL | 0.0957 mL | 0.1913 mL | 0.4783 mL |
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