| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
NCGC00378430 exhibits an IC50 of 52 μM in the Alphascreen assay, making it a strong SIX1/EYA2 responder [1]. In T47D cells, NCGC00378430 (20 μM; 3 days) inhibits TGF-β-induced p-Smad3 activation, while NCGC00378430 (10 μM; 3 days) reverses the increase in p-SMAD3 caused by Sine ocuLis homeobox homolog 1 (SIX1), while leaving the overall E-CAD level unchanged. NCGC00378430 (10 or 20 μM) partially reverses SIX1-mediated regression in MCF7 breast tumor cells. NCGC00378430 (10 μM; for 3 days) impairs SIX1-EYA2 ligation in tumor cells (MCF7, T47D, MDA-MB-231 cells). Features[1].
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|---|---|
| ln Vivo |
NCGC00378430 (25 mg/kg; injected locally into the tumor site; daily; from day 3 to day 21) effectively lowers distant metastatic burden compared to commercial treatments [1]. NCGC00378430 (20 mg/kg; IV
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: T47D cells Tested Concentrations: 20 μM Incubation Duration: 3 days Experimental Results: Block TGF-β-induced p-Smad3 activation, FN1 upregulation and E-CAD downregulation. |
| Animal Protocol |
Animal/Disease Models: Mouse[1]
Doses: 20 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: intravenous (iv) (iv)injection Experimental Results: T1/2α is 0.25 hrs (hrs (hours)), CL is 6.19 L/hr·kg, Vss is 4.08 L/ kg, Cmax is 6703 ng/mL, AUC is 3234 ng/mL·hr. |
| References |
| Molecular Formula |
C22H23N3O5S
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|---|---|
| Molecular Weight |
441.50012421608
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| Exact Mass |
441.135
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| CAS # |
920650-00-6
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| PubChem CID |
16361161
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| Appearance |
White to off-white solid powder
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| LogP |
1.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
700
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C=C(N2C=CC=C2)C=CC=1)NC1C=C(S(N2CCOCC2)(=O)=O)C(OC)=CC=1
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| InChi Key |
IFXCVBOQNYHBMX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23N3O5S/c1-29-20-8-7-18(16-21(20)31(27,28)25-11-13-30-14-12-25)23-22(26)17-5-4-6-19(15-17)24-9-2-3-10-24/h2-10,15-16H,11-14H2,1H3,(H,23,26)
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| Chemical Name |
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
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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) |
DMSO : ~100 mg/mL (~226.50 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2650 mL | 11.3250 mL | 22.6501 mL | |
| 5 mM | 0.4530 mL | 2.2650 mL | 4.5300 mL | |
| 10 mM | 0.2265 mL | 1.1325 mL | 2.2650 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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