| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
CD40 IL-1β IL-6 p38 MAPK
|
|---|---|
| ln Vitro |
Semapimod causes pro-inflammatory gene expression in macrophages, including p38-MAPK phosphorylation, macrophage inflammatory protein-1alpha, interleukin-6, monocyte chemoattractant protein-1, and intercellular adhesion molecule-1. It also drastically lowers neutral granulocyte infiltration. Semapimod totally stops the myometrium from producing nitric oxide [2]. Semapimod acts on the TLR chaperone gp96, which desensitizes TLR signaling. In vitro, gp96's ATP binding and ATPase activity are inhibited by semapimod tetrahydrochloride (IC50 = 0.2–0.4 μM). By affecting the TLR chaperone gp96, semapimod desensitizes TLR signaling [3]. GL261 invasion induced by microglia is inhibited by semapimod (0-500 nM) [4]. Even at 10 µM, serum-stimulated glioblastoma cell invasion is unaffected by Semapimod (0-10 µM), highlighting Semapimod's selectivity for monocyte-lineage cells [4]. Glioblastoma cells activated by microglia do not proliferate when semapimod (200 nM) is present [4].
|
| ln Vivo |
Semapimod (5 mg/kg; intraperitoneal injection; once daily for 2 weeks) improves endothelial dysfunction in Obese Zucker (OZ) rats [1]. Semapimod rescues AM-induced Akt phosphorylation and cGMP synthesis in OZ rats [1]. Semapimod (6 mg/kg/day, intracranial injection for 1 week) inhibits glioblastoma cell invasion in vivo [4]. Semapimod (intracranial injection, 2 weeks) semapimos paired with radiotherapy considerably enhanced survival in GL261 tumor-bearing rats, but had no meaningful benefit in the absence of radiotherapy [4].
|
| Animal Protocol |
Animal/Disease Models: Male OZ rats[1]
Doses: 5 mg/kg Route of Administration: Ip; daily for 2 weeks Experimental Results: Restored endothelium-dependent vasorelaxation in OZ rats . Animal/Disease Models: C57Bl/6 mice (GL261 cells were orthotopically implanted)[4] Doses: 6 mg/kg/day Route of Administration: Intracranially for 1 week, delivered via an osmotic pump Experimental Results: Inhibited tumor cell invasion by more than 75%. |
| References |
|
| Additional Infomation |
Semapimod has been used in trials studying the treatment of Crohn Disease.
|
| Molecular Formula |
C34H52N18O2
|
|---|---|
| Molecular Weight |
744.90
|
| Exact Mass |
744.452
|
| CAS # |
352513-83-8
|
| Related CAS # |
Semapimod tetrahydrochloride;164301-51-3
|
| PubChem CID |
5745214
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.39
|
| Index of Refraction |
1.677
|
| LogP |
7.122
|
| Hydrogen Bond Donor Count |
10
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
19
|
| Heavy Atom Count |
54
|
| Complexity |
1290
|
| Defined Atom Stereocenter Count |
0
|
| 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
|
| InChi Key |
PWDYHMBTPGXCSN-VCBMUGGBSA-N
|
| InChi Code |
InChI=1S/C34H52N18O2/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)/b45-19+,46-20+,47-21+,48-22+
|
| Chemical Name |
N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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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