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| Targets |
SD-2590 HCl targets matrix metalloproteinases (MMPs), particularly MMP-2, -13, -9, -8, -14, and -3. It is a potent inhibitor of these enzymes, with high selectivity for MMP-2 and MMP-13 over MMP-1. Some sources also list STAT3 as a target. By inhibiting MMPs, it can modulate extracellular matrix degradation and other MMP-mediated processes.
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| ln Vitro |
SD-2590 HCl is a potent in vitro inhibitor of MMPs with IC50 values of <0.1 nM for MMP-2 and MMP-13, 0.18 nM for MMP-9, 1.7 nM for MMP-8, 13 nM for MMP-14, and 28.7 nM for MMP-3. It displays 100,000-fold selectivity for MMP-2 and -13 over MMP-1. This demonstrates its potent and selective inhibitory profile.
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| ln Vivo |
SD-2590 HCl is an orally bioactive MMP inhibitor, suggesting it has been tested in vivo. Its primary use is in preclinical oncology studies to explore targeted therapies for STAT3-driven malignancies, indicating it has been evaluated in relevant cancer models. It has been shown to inhibit cancer/tumor cell growth.
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| Enzyme Assay |
The in vitro activity of SD-2590 HCl is assessed using enzyme inhibition assays with purified recombinant MMPs. The compound is incubated with the enzyme and a substrate, and the extent of inhibition is measured. The IC50 values for the various MMPs are determined from these assays.
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| Cell Assay |
The activity of SD-2590 HCl can also be evaluated in cell-based assays. Its ability to inhibit MMP activity in cell culture can be measured using zymography or other assays. Its effects on cancer cell growth, migration, and invasion can also be assessed.
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| Animal Protocol |
In vivo studies are conducted in animal models of cancer, as suggested by its use in preclinical oncology studies. In these studies, SD-2590 HCl is typically administered orally to tumor-bearing mice. Tumor growth inhibition and other efficacy endpoints are monitored.
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| ADME/Pharmacokinetics |
SD-2590 HCl has a molecular weight of 554.96 and a molecular formula of C22H26ClF3N2O7S. It is a potent MMP inhibitor with IC50s of <0.1 nM for MMP-2 and MMP-13, 0.18 nM for MMP-9, and 1.7 nM for MMP-8. It is also described as an orally bioactive compound. It is available as a hydrochloride salt.
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| Toxicity/Toxicokinetics |
SD-2590 HCl is a research compound, and its toxicity profile is not detailed in the provided sources. As a potent MMP inhibitor, it could have effects on normal tissue remodeling and wound healing. Its high selectivity may reduce off-target toxicity. Comprehensive toxicology studies would be needed for its development.
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| References | |
| Additional Infomation |
SD-2590 HCl (CAS#: 226395-93-3) is a potent inhibitor of MMP-2, -13, -9, -8, -14, and -3 with IC50 values in the nanomolar to sub-nanomolar range. It displays 100,000-fold selectivity for MMP-2 and -13 over MMP-1. It is an orally bioactive compound used in preclinical oncology research.
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| Molecular Formula |
C22H26CLF3N2O7S
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|---|---|
| Molecular Weight |
554.96
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| Exact Mass |
554.11
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| CAS # |
226395-93-3
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| PubChem CID |
9893894
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
36
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| Complexity |
782
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F.Cl
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| InChi Key |
HJJOIVGDTLHVTK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H25F3N2O7S.ClH/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25;/h2-9,29H,10-15H2,1H3,(H,26,28);1H
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| Chemical Name |
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
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| Synonyms |
SD2590 HCl; SD 2590 HCl; SD-2590 HCl
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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 |
| 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) |
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
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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 | 1.8019 mL | 9.0097 mL | 18.0193 mL | |
| 5 mM | 0.3604 mL | 1.8019 mL | 3.6039 mL | |
| 10 mM | 0.1802 mL | 0.9010 mL | 1.8019 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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