| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Kd: ~385 pM (PDEδ)[1]
The primary target of Deltasonamide 2 hydrochloride is phosphodiesterase delta (PDEdelta), a chaperone protein. It acts as a competitive inhibitor, binding to the prenyl-binding pocket of PDEdelta with extremely high affinity, as indicated by its dissociation constant (Kd) of approximately 385 pM. This binding prevents PDEdelta from interacting with and localizing farnesylated proteins like RAS. |
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| ln Vitro |
The in vitro activity of Deltasonamide 2 hydrochloride is defined by its exceptional binding affinity for PDEdelta. The compound demonstrates a Kd of approximately 385 pM in biochemical assays, confirming it as a high-affinity ligand. By inhibiting PDEdelta, it disrupts the interaction of RAS with the protein, thereby mislocalizing RAS from its normal position on the plasma membrane and altering its signaling output.
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| ln Vivo |
Published in vivo activity data for Deltasonamide 2 hydrochloride is not provided in these references. The described in vitro studies are the primary focus. Given its potent mechanism of action in cell-free systems, it is likely being investigated in cell-based assays to validate the effects of PDEdelta inhibition on RAS-dependent cancer cell growth and survival.
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| Enzyme Assay |
The non-cellular protocol to determine the binding affinity of Deltasonamide 2 hydrochloride for PDEdelta typically involves a fluorescence polarization (FP) competition assay. Purified PDEdelta protein is incubated with a fluorescently labeled high-affinity ligand (a tracer) and varying concentrations of the unlabeled Deltasonamide 2 hydrochloride. The displacement of the tracer is measured by a decrease in FP signal, and the Kd is calculated from the binding curve.
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| Cell Assay |
In a typical cellular experiment to study Deltasonamide 2 hydrochloride's effect, cancer cells with KRAS mutations are treated with various concentrations of the compound (e.g., 1 nM to 10 microM) for 24-72 hours. Cell viability is assessed using an MTT or CellTiter-Glo assay. Additionally, the cellular localization of RAS can be examined by immunofluorescence microscopy, and downstream signaling activity can be measured by Western blot for phosphorylated ERK.
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| Animal Protocol |
Detailed in vivo animal protocols for Deltasonamide 2 hydrochloride are not standardly published. For xenograft studies, a typical protocol would involve subcutaneously implanting KRAS-mutant cancer cells into immunocompromised mice. When tumors reach a certain size, Deltasonamide 2 hydrochloride would be administered, potentially daily via intraperitoneal injection, and tumor volume would be measured with calipers.
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| ADME/Pharmacokinetics |
No specific pharmacokinetic data for Deltasonamide 2 hydrochloride is included in these references. As a small-molecule inhibitor, its properties in vivo would be crucial for development. For in vivo efficacy, one would need to know its oral bioavailability, half-life, and tissue distribution to design an effective dosing regimen.
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| Toxicity/Toxicokinetics |
Deltasonamide 2 hydrochloride's safety profile is not the focus of these product datasheets. As a research tool, it is not intended for clinical use. Standard cytotoxicity assays in various cell lines would typically be performed to determine its specificity and potential toxicity. In the binding and cellular assays described, no general cellular toxicity has been reported.
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| References | |
| Additional Infomation |
Deltasonamide 2 hydrochloride is a highly significant chemical probe because it directly targets a key regulator of RAS trafficking. RAS is a major driver of human cancers but has been notoriously difficult to drug directly. By inhibiting PDEdelta, this compound offers an alternative, indirect approach to block oncogenic RAS signaling by preventing its proper localization to the cell membrane.
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| Molecular Formula |
C30H38CL2N6O4S2
|
|---|---|
| Molecular Weight |
681.6965
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| Exact Mass |
682.193
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| CAS # |
2448341-55-5
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| Related CAS # |
Deltasonamide 1;2088485-33-8;Deltasonamide 2 (TFA);2235358-74-2;Deltasonamide 1 TFA;2235358-73-1;Deltasonamide 2;2088485-34-9
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| PubChem CID |
138911315
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
44
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| Complexity |
1070
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])N(C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])S(C1C([H])=C([H])C(=C([H])C=1[H])S(N(C([H])([H])C1C([H])=C([H])N=C(N([H])C([H])([H])[H])N=1)[C]1C([H])([H])C([H])([H])[C](C([H])([H])C1([H])[H])N([H])[H])(=O)=O)(=O)=O.Cl[H] |^1:59,66|
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| InChi Key |
XBBDRWJFBNADPL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H39ClN6O4S2.ClH/c1-33-30-34-19-18-25(35-30)21-37(27-12-10-24(32)11-13-27)43(40,41)29-16-14-28(15-17-29)42(38,39)36(26-4-2-3-5-26)20-22-6-8-23(31)9-7-22;/h6-9,14-19,24,26-27H,2-5,10-13,20-21,32H2,1H3,(H,33,34,35);1H
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| Chemical Name |
4-N-(4-aminocyclohexyl)-1-N-[(4-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide;hydrochloride
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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, avoid exposure to moisture. |
| 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) |
DMSO: 150 mg/mL (219.39 mM)
H2O: < 0.1 mg/mL |
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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 | 1.4669 mL | 7.3346 mL | 14.6692 mL | |
| 5 mM | 0.2934 mL | 1.4669 mL | 2.9338 mL | |
| 10 mM | 0.1467 mL | 0.7335 mL | 1.4669 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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