2. Immunology/Inflammation MAPK/ERK Pathway NF-κB
  3. Toll-like Receptor (TLR) MyD88 p38 MAPK NF-κB JNK
  4. MyD88-IN-3

MyD88-IN-3 is an orally active, selective MyD88 Inhibitor. MyD88-IN-3 specifically targets the TIR domain of MyD88 (KD = 28.5 μM), thereby preventing MyD88 self-polymerization and interaction with TLRs, which suppresses the activation of MAPK and NF-κB pathways. MyD88-IN-3 demonstrates significant anti-inflammatory efficacy and effectively mitigates Acute Lung Injury (ALI) symptoms in CLP (cecal ligation and puncture) and Lipopolysaccharides (HY-D1056) (LPS)-induced ALI models. MyD88-IN-3 can be used for the study of ALI.

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

MyD88-IN-3

MyD88-IN-3 Chemical Structure

Size Price Stock Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
 In-stock
Solution
10 mM * 1 mL in DMSO In-stock
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Customer Review

Based on 1 publication(s) in Google Scholar

MyD88-IN-3 Related Antibodies

Top Publications Citing Use of Products

View All Toll-like Receptor (TLR) Isoform Specific Products:

View All Isoforms
TLR3 TLR8 TLR9 TLR2 TLR4 TLR7 TLR1 TLR6

View All p38 MAPK Isoform Specific Products:

View All Isoforms
p38 MAPK Akt1 p38α p38β MAPK13 p38δ p38γ

View All NF-κB Isoform Specific Products:

View All Isoforms
NF-κB NF-κB1/p50 RelA/p65 RelB c-Rel

View All JNK Isoform Specific Products:

View All Isoforms
JNK1 JNK2 JNK3 JNK

  • Biological Activity

  • Purity & Documentation

  • References

  • Customer Review

Description

MyD88-IN-3 is an orally active, selective MyD88 Inhibitor. MyD88-IN-3 specifically targets the TIR domain of MyD88 (KD = 28.5 μM), thereby preventing MyD88 self-polymerization and interaction with TLRs, which suppresses the activation of MAPK and NF-κB pathways. MyD88-IN-3 demonstrates significant anti-inflammatory efficacy and effectively mitigates Acute Lung Injury (ALI) symptoms in CLP (cecal ligation and puncture) and Lipopolysaccharides (HY-D1056) (LPS)-induced ALI models. MyD88-IN-3 can be used for the study of ALI[1].

In Vitro

MyD88-IN-3 (Compound 3g) (1.1-30 μM) demonstrates potent anti-inflammatory effects by significantly inhibiting IL-6 secretion in the mouse macrophage J774A.1 (IC50 = 1.32 μM) and human THP-1 (IC50 = 0.75 μM ) macrophages differentiated with PMA[1].
MyD88-IN-3 (10 μM, pretreatment for 2 h, followed by co-treatment with 0.5 μg/mL LPS for 30 minutes) restores the decreased expression level of IκBα induced by LPS, significantly reduces the phosphorylation of p38, inhibits the phosphorylation of JNK, suppresses phosphorylation and nuclear translocation of p65, and inhibits LPS-induced activation of the MAPK pathway, leading to nuclear translocation of c-Jun in J774A.1 macrophage[1].
MyD88-IN-3 (5 μM, 10 μM) can inhibit MyD88 homodimerization in J774A.1[1].
MyD88-IN-3 (10 μM, 2 h) can inhibit the interaction between MyD88 and TLR4 in J774A.1[1].
MyD88-IN-3 (10 μM, 4 h) improves the thermal stability of MyD88, preserving roughly 50% of MyD88 at 64 °C[1].
MyD88-IN-3 binds efficiently to the TIR domain (KD = 28.5 μM), while exhibiting no binding affinity for the DD domain (KD = 1.32 M)[1].

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

MyD88-IN-3 Related Antibodies

Western Blot Analysis[1]

Cell Line: J774A.1 mouse macrophages
Concentration: Pretreatment for 2 h, followed by co-treatment with 0.5 μg/mL LPS for 30 minutes
Incubation Time: 2 h
Result: Restored LPS-induced IκBα degradation and inhibited p38 and JNK phosphorylation.
Parmacokinetics
Species Dose Route T1/2 Tmax Cmax AUC0-t AUC0-∞ Vz CL F
Rat 1 mg/kg i.v. 2.005 h 0.133 h 20470.326 ng/mL 21742.905 ng·h/mL 21793.761 ng·h/mL 0.157 L/kg 0.052 L/h/kg /
Rat 10 mg/kg p.o. 3.974 h 3.333 h 21139.044 ng/mL 136935.065 ng·h/mL 139481.151 ng·h/mL 0.468 L/kg 0.077 L/h/kg 63 %
In Vivo

MyD88-IN-3 (500 mg/kg, 1000 mg/kg, oral gavage, once daily for 10 days) exhibits advantageous in vivo safety in SD rats[1].
MyD88-IN-3 (20 mg/kg, Oral gavage, pretreated 6 h) mitigates sepsis-induced ALI in C57BL/6 mice[1].
MyD88-IN-3 (20 mg/kg, Oral gavage, pretreated 30 min) Attenuated LPS-Induced ALI in C57BL/6 mice[1].

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

Animal Model: SD rats[1]
Dosage: 500 mg/kg, 1000 mg/kg
Administration: Oral gavage, once daily for 10 days
Result: Induced a slight decrease in body weight in the first day, following which body weight progressively returned to levels akin to the control group, with no statistically significant differences noted.
Indicated no notable pathological alterations in the organs of mice.
Animal Model: Male C57BL/6 mice, weighing between 18 and 22 g, after the administration of anesthesia, an abdominal incision was performed to reveal the cecum. The cecum was ligated beneath the ileocecal valve with surgical thread and subsequently punctured once with a needle. The abdominal incision was subsequently sutured closed after repositioning[1]
Dosage: 20 mg/kg
Administration: Oral gavage, administer 6 hours before CLP surgery
Result: Markedly diminished the lung wet/dry weight ratio, demonstrating its effectiveness in alleviating sepsis-induced lung edema.
Obstructed this cellular influx into BALF, suggesting that MyD88-IN-3 alleviates sepsis-induced pulmonary edema.
led to a significant decrease in IL-6.
Alleviated lung tissue damage, interstitial edema, pulmonary congestion, inflammatory infiltration, and thickened alveolar septa.
Significantly diminished immune cell infiltration, thereby mitigating the inflammatory response.
Animal Model: LPS-Induced Male C57BL/6 mice, weighing between 18 and 22 g
Dosage: 20 mg/kg
Administration: Oral gavage, administer 30 min before LPS.
Result: Markedly diminished the lung wet/dry weight ratio, demonstrating its effectiveness in alleviating sepsis-induced lung edema.
Significantly suppressed the increase in total protein concentration and the discharge of immune cells into BALF.
Decreased spleen weight and mitigated inflammation.
Markedly reduced IL-6 levels in both bronchoalveolar lavage fluid and serum samples.
Mitigated augmented alveolar septal thickness, pulmonary congestion, inflammatory infiltration, and lung tissue degradation.
Reduced leukocyte infiltration into the alveoli.
Molecular Weight

508.55

Formula

C24H24N6O5S
Appearance

Solid

Color

Light yellow to yellow

SMILES

O=S(C1=CC=C(N2CCN(CC3=CC=C(C#N)C=C3)CC2)C([N+]([O-])=O)=C1)(NC4=CC=C(OC)N=C4)=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (196.64 mM; ultrasonic and warming and heat to 60°C; 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 1.9664 mL 9.8319 mL 19.6637 mL
5 mM 0.3933 mL 1.9664 mL 3.9328 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.

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

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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 (9.83 mM); Suspended solution

    This protocol yields a suspended solution of ≥ 5 mg/mL (saturation unknown). Suspended solution can be used for oral and intraperitoneal injection.

    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% Corn Oil

    Solubility: ≥ 5 mg/mL (9.83 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:

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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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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
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 1.9664 mL 9.8319 mL 19.6638 mL 49.1594 mL
5 mM 0.3933 mL 1.9664 mL 3.9328 mL 9.8319 mL
10 mM 0.1966 mL 0.9832 mL 1.9664 mL 4.9159 mL
15 mM 0.1311 mL 0.6555 mL 1.3109 mL 3.2773 mL
20 mM 0.0983 mL 0.4916 mL 0.9832 mL 2.4580 mL
25 mM 0.0787 mL 0.3933 mL 0.7866 mL 1.9664 mL
30 mM 0.0655 mL 0.3277 mL 0.6555 mL 1.6386 mL
40 mM 0.0492 mL 0.2458 mL 0.4916 mL 1.2290 mL
50 mM 0.0393 mL 0.1966 mL 0.3933 mL 0.9832 mL
60 mM 0.0328 mL 0.1639 mL 0.3277 mL 0.8193 mL
80 mM 0.0246 mL 0.1229 mL 0.2458 mL 0.6145 mL
100 mM 0.0197 mL 0.0983 mL 0.1966 mL 0.4916 mL
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MyD88-IN-3 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:

MyD88-IN-3Toll-like Receptor (TLR)MyD88p38 MAPKNF-κBJNKNuclear factor-κBNuclear factor-kappaBc-Jun N-terminal kinaseAcute lung injuryALIAcute respiratory distress syndromeARDSMAPKInhibitorinhibitorinhibit

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