| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
IL-1β; IL-6; p38 MAPK
Semapimod tetrahydrochloride targets multiple pathways. It inhibits TLR4 signaling with an IC50 of approximately 0.3 μM. It inhibits p38 MAPK and nitric oxide production in macrophages. It specifically inhibits the production of proinflammatory cytokines such as tumor necrosis factor-alpha (TNF-α), interleukin-1 beta (IL-1β), and interleukin-6 (IL-6). By inhibiting SK1, it reduces S1P levels, impacting immune cell migration and inflammation. |
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| ln Vitro |
Semapimod tetrahydrochloride (CNI-1493) significantly reduces neutrophil infiltration, p38-MAPK phosphorylation in macrophages, interleukin-6, monocyte chemoattractant protein-1, and intercellular adhesion molecule-1 proinflammatory gene expression. Nitric oxide synthesis in the tunica muscularis was completely eliminated by semapimod tetrahydrochloride. Through its impact on the TLR chaperone gp96, semapimod tetrahydrochloride desensitizes TLR signaling. The ATP-binding and ATPase activities of gp96 are inhibited in vitro by semapimod tetrahydrochloride (IC50≈0.2-0.4 μM). Through its impact on the TLR chaperone gp96, semapimod tetrahydrochloride desensitizes TLR signaling. |
| ln Vivo |
In obese Zucker (OZ) rats, semapimod tetrahydrochloride (CNI-1493) (5 mg/kg; i.p.; daily for 2 weeks) improves endothelial dysfunction. In OZ rats, semapimod tetrahydrochloride reverses the effects of AM on akt phosphorylation and cGMP synthesis. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Semapimod tetrahydrochloride are not standard, as its primary targets are signaling pathways rather than a single enzyme or receptor. Its inhibition of TLR4 signaling can be assessed in cell-based reporter assays where the compound's ability to block TLR4-mediated NF-κB activation is measured. Its inhibition of p38 MAPK is assessed by measuring the phosphorylation of downstream substrates.
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| Cell Assay |
In vitro cellular assays for Semapimod tetrahydrochloride are performed using macrophages or other immune cells. Cells are stimulated with LPS (a TLR4 agonist) in the presence of the compound, and the production of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6 is measured by ELISA. The compound's effect on p38 MAPK phosphorylation and nitric oxide production is also assessed.
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| Animal Protocol |
In vivo animal experiments for Semapimod tetrahydrochloride are conducted in models of inflammation, autoimmune disease, or cancer. The compound is administered intraperitoneally or orally, and its effects on disease severity, inflammatory cell infiltration, and cytokine levels are measured. Specific models are not detailed in the available sources.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Semapimod tetrahydrochloride are not detailed in publicly available sources. As an experimental drug, its PK properties have been characterized in preclinical species. Its route of administration and bioavailability would depend on the specific formulation.
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| Toxicity/Toxicokinetics |
Toxicological data for Semapimod tetrahydrochloride are not widely published. As a research compound and experimental drug, its safety profile has been evaluated in animal models. No significant toxicity has been reported in the available literature.
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| References |
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| Additional Infomation |
See also: Semapimod (comment moved to).
Semapimod tetrahydrochloride is also known as CNI-1493. It is a potent inhibitor of proinflammatory cytokine production. It has been studied for its potential in treating autoimmune diseases, cancer, and inflammation. It is not an approved drug. |
| Molecular Formula |
C34H52N18O2
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|---|---|
| Molecular Weight |
744.9
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| Exact Mass |
888.359
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| Elemental Analysis |
C, 54.82; H, 7.04; N, 33.85; O, 4.30
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| CAS # |
164301-51-3
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| Related CAS # |
Semapimod;352513-83-8
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| PubChem CID |
9554199
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| Appearance |
white solid powder
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| Boiling Point |
1025.8ºC at 760mmHg
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| Flash Point |
574.2ºC
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| Vapour Pressure |
0mmHg at 25°C
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| LogP |
11.483
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| Hydrogen Bond Donor Count |
14
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
19
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| Heavy Atom Count |
58
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| Complexity |
1290
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C/C(/C1=CC(/C(/C)=N/NC(N)=N)=CC(NC(CCCCCCCCC(NC2=CC(/C(/C)=N\NC(N)=N)=CC(/C(/C)=N/NC(N)=N)=C2)=O)=O)=C1)=N/NC(N)=N.Cl.Cl.Cl.Cl
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| InChi Key |
MAHASPGBAIQZLY-RTQZJKMDSA-N
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| InChi Code |
InChI=1S/C34H52N18O2.4ClH/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42;;;;/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);4*1H/b45-19+,46-20+,47-21+,48-22+;;;;
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| Chemical Name |
N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;tetrahydrochloride
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| Synonyms |
Semapimod HCl; CNI-1493; CNI1493; CNI1493; AXD-455; AXD455; AXD 455; AIDS121302; AIDS-121302
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O: ~2.17 mg/mL (~2.4 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3425 mL | 6.7123 mL | 13.4246 mL | |
| 5 mM | 0.2685 mL | 1.3425 mL | 2.6849 mL | |
| 10 mM | 0.1342 mL | 0.6712 mL | 1.3425 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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