| 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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Purity: ≥98%
ML390 is a novel potent inhibitor of human DHODH (Dihydroorotate dehydrogenase) that induces differentiation in acute myeloid leukemia (AML) with EC50 of 1.8μM, 8.8μM, 6.5μM, and 0.56μM in ER-HOX-GFP, U937, THP-1 cells and DHODH enzyme, respectively. ML390 was identified as the most potent compound against the engineered ERHOX-GFP cell line. Moreover, the addition of uridine to the cell culture media could abrogate the differentiation effects of ML390, demonstrating further evidences that ML390’ effects were due to their inhibition of DHODH-catalyzed pyrimidine synthesis. Therefore, ML390 may offer insight into the mechanism of overcoming differentiation arrest, and has the potential to used as a treatment for patients with AML.
| ln Vitro |
In human and murine AML cell lines, ML390 exhibits activity with an ED50 of approximately 2 μM. Lys-GFP-ER-HoxA9 cells treated with ML390 for 48 hours in vitro suppress DHODH activity, which causes uridine and other downstream metabolites to be depleted and the upstream metabolite DHO to accumulate dramatically (>500-fold)[2].
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| ln Vivo |
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| Animal Protocol |
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| References |
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| Molecular Formula |
C21H21F3N2O3
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| Molecular Weight |
406.398256063461
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| Exact Mass |
406.15
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| CAS # |
2029049-79-2
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| Related CAS # |
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| PubChem CID |
71768304
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| Appearance |
White to off-white solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
29
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| Complexity |
562
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC(OC1C=CC(=CC=1)C(NCCC(N[C@H]1C2C=CC=CC=2CCC1)=O)=O)(F)F
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| InChi Key |
SGNRHEDBLPGDDC-GOSISDBHSA-N
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| InChi Code |
InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1
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| Chemical Name |
N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethoxy)benzamide
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| Synonyms |
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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 |
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| 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) |
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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 | 2.4606 mL | 12.3031 mL | 24.6063 mL | |
| 5 mM | 0.4921 mL | 2.4606 mL | 4.9213 mL | |
| 10 mM | 0.2461 mL | 1.2303 mL | 2.4606 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.
Dose-dependent Activity of the Probe (ML390) in Three Cell Lines. |
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Stability of the Probe (ML390) in PBS Buffer (pH 7.4, 23 °C).National Center for Biotechnology Information (US); 2010-2013 Dec 15. |
Synthesis of ML390.National Center for Biotechnology Information (US); 2010-2013 Dec 15. |
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