MD2-IN-1
Based on 7 publication(s) in Google Scholar
MD2-IN-1 is an inhibitor of Myeloid differentiation protein 2 (MD2) with a KD of 189 μM for the recombinant human MD2 (rhMD2).
For research use only. We do not sell to patients.
- Purity: 99.88%
- CAS No.: 111797-22-9
- Formula: C20H22O6
- Molecular Weight:358.39
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocol
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) MD2-IN-1
More- Carbohydr Polym. 2023 Apr 1:305:120533. [Abstract]
- Int J Biol Macromol. 2024 Jun 14:132931. [Abstract]
- Biomed Pharmacother. 2023 Sep:165:115227. [Abstract]
- Mol Med. 2025 Apr 7;31(1):131. [Abstract]
- ACS ES&T Water. 2025 Nov 20.
- J Psychiatr Res. 2023 Aug:164:150-161. [Abstract]
- Oncoscience. 2026 Mar 11:13:62-68. [Abstract]
Biological Activity
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TLR4 |
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| K562 | IC50 |
1.1 μM
Compound: 2q
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Antiproliferative activity against human K562 cells after 5 days by MTT assay
Antiproliferative activity against human K562 cells after 5 days by MTT assay
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[PMID: 19837593] |
| MCF7 | GI50 |
3.97 μM
Compound: 18
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Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability incubated for 48 hrs by sulforhodamine B assay
Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability incubated for 48 hrs by sulforhodamine B assay
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[PMID: 31610374] |
| NCI-H460 | GI50 |
5.6 μM
Compound: 18
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Antiproliferative activity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by sulforhodamine B assay
Antiproliferative activity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by sulforhodamine B assay
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[PMID: 31610374] |
| RAW264.7 | IC50 |
12.3 μM
Compound: 3l
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Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of IL-1beta release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of IL-1beta release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
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[PMID: 38911149] |
| RAW264.7 | IC50 |
2.1 μM
Compound: 3l
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Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of IL-6 release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of IL-6 release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
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[PMID: 38911149] |
| RAW264.7 | IC50 |
4 μM
Compound: 3l
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Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of PGE2 production preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of PGE2 production preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
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[PMID: 38911149] |
| RAW264.7 | IC50 |
4.6 μM
Compound: 3l
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Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of iNOS activity preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of iNOS activity preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
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[PMID: 38911149] |
| RAW264.7 | IC50 |
7.9 μM
Compound: 3l
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Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of TNF-alpha release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibition of TNF-alpha release preincubated for 2 hrs followed by LPS stimulation for 24 hrs by ELISA method
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[PMID: 38911149] |
Myeloid differentiation protein 2 (MD2) is a co-receptor of TLR4. Among those derivatives, MD2-IN-1 (compound 20) shows the strongest inhibitory effect on LPS-induced expression of both TNF-α and IL-6. Compare to the vehicle, LPS alone largely increases the amount of TLR4/MD2 complex, while pretreatment with MD2-IN-1 inhibits the increase of TLR4/MD2 complex to the vehicle level. SPR analysis shows that MD2-IN-1 exhibits recognizable binding to rhMD2 protein in a dose-dependent manner, with a KD value of 189 μM, while the KD value of xanthohumol binding to MD2 is 460 μM. Pre-treatment with different doses of MD2-IN-1 dose-dependently reduces FITC-LPS binding to MD2 in cell surface membranes, with a 65% inhibition at 10 μM in terms of mean fluorescence intensity. Pretreatment with MD2-IN-1 also dose-dependently blocks LPS-induced MAPK phosphorylation in the MPMs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 111797-22-9
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Appearance Solid
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Molecular Weight 358.39
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Formula C20H22O6
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Color Light yellow to yellow
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SMILES
O=C(C1=CC=C(OC)C(OC)=C1)/C=C/C2=CC(OC)=C(OC)C(OC)=C2
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (7)
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Journal Impact Factor
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Most Recent
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Carbohydr Polym
Innate immune receptors co-recognition of polysaccharides initiates multi-pathway synergistic immune response. [Abstract]2023 Apr 1:305:120533. PMID: 36737186 -
Int J Biol Macromol
Screening of Poria cocos polysaccharide with immunomodulatory activity and its activation effects on TLR4/MD2/NF-κB pathway. [Abstract]2024 Jun 14:132931. PMID: 38942665 -
Biomed Pharmacother
The antimicrobial peptide chensinin-1b alleviates the inflammatory response by targeting the TLR4/NF-κB signaling pathway and inhibits Pseudomonas aeruginosa infection and LPS-mediated sepsis. [Abstract]2023 Sep:165:115227. PMID: 37536032 -
Mol Med
ACT001 improves OVX-induced osteoporosis by suppressing the NF-κB/NLRP3 signaling pathway. [Abstract]2025 Apr 7;31(1):131. PMID: 40197211 -
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J Psychiatr Res
PAG neuronal NMDARs activation mediated morphine-induced hyperalgesia by HMGB1-TLR4 dependent microglial inflammation. [Abstract]2023 Aug:164:150-161. PMID: 37352811 -
Oncoscience
Targeting MD2 in prostate cancer bone metastasis: Mechanistic insights and therapeutic potential. [Abstract]2026 Mar 11:13:62-68. PMID: 41859196
Solvent & Solubility
DMSO : 50 mg/mL (139.51 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)
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: ≥ 3.25 mg/mL (9.07 mM); Clear solution
This protocol yields a clear solution of ≥ 3.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (32.5 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: 3.25 mg/mL (9.07 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 3.25 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (32.5 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.
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.
Protocol
Mouse RAW264.7 macrophages are starved for 3 h before experimentation. Cells are incubated with or without FITC-LPS (50 μg/mL) in the presence or absence of MD2-IN-1 (0.1, 1 and 10 μM) for 30 min. After incubation, macrophages are fixed with paraformaldehyde for 10 min at 4°C and washed with PBS before being analyzed by flow cytometry[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Male Sprague Dawley (SD) rats are randomly divided into three groups, designated “control” (5 rats, only receive the vehicle of 0.9% saline), “LPS” (7 rats, receive 5 mg/kg LPS alone) and “MD2-IN-1 (20) + LPS” (6 rats, receive both MD2-IN-1 and 5 mg/kg LPS). Prior to LPS-induced Acute lung injury (ALI), the MD2-IN-1+LPS group rats are treated intragastrically with MD2-IN-1 at a dosage of 20 mg/kg/day continuously for one week. Under ether anesthesia, all the rats are exposed their trachea and challenged with intratracheal instillation of 50 μL of LPS, while the control group challenged with intratracheal instillation of 50 μL of 0.9% saline. Rats are then euthanized with ketamine after 6 h of LPS induction[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Purity & Documentation
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Data Sheet (278 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Portuguese - PT (393 KB)
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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, 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 | 2.7903 mL | 13.9513 mL | 27.9026 mL | 69.7564 mL |
| 5 mM | 0.5581 mL | 2.7903 mL | 5.5805 mL | 13.9513 mL | |
| 10 mM | 0.2790 mL | 1.3951 mL | 2.7903 mL | 6.9756 mL | |
| 15 mM | 0.1860 mL | 0.9301 mL | 1.8602 mL | 4.6504 mL | |
| 20 mM | 0.1395 mL | 0.6976 mL | 1.3951 mL | 3.4878 mL | |
| 25 mM | 0.1116 mL | 0.5581 mL | 1.1161 mL | 2.7903 mL | |
| 30 mM | 0.0930 mL | 0.4650 mL | 0.9301 mL | 2.3252 mL | |
| 40 mM | 0.0698 mL | 0.3488 mL | 0.6976 mL | 1.7439 mL | |
| 50 mM | 0.0558 mL | 0.2790 mL | 0.5581 mL | 1.3951 mL | |
| 60 mM | 0.0465 mL | 0.2325 mL | 0.4650 mL | 1.1626 mL | |
| 80 mM | 0.0349 mL | 0.1744 mL | 0.3488 mL | 0.8720 mL | |
| 100 mM | 0.0279 mL | 0.1395 mL | 0.2790 mL | 0.6976 mL |
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