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| 10mg |
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| 25mg |
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Purity: ≥98%
ML-792 (ML792) is a novel, potent and specific small ubiquitin-like modifier (SUMO)-activating enzyme (SAE) inhibitor with anticancer activity. ML-792 is a selective inhibitor of SAE/SUMO1 and SAE/SUMO2 in enzymatic assays with IC50s of 3 and 11 nM, respectively, compared with NAE/NEDD8 and UAE/ubiquitin (IC50s of 32 μM and >100 μM, respectively).
| Targets |
SAE/SUMO1(IC50= 3 nM);SAE/SUMO2(IC50= 11 nM)
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|---|---|
| ln Vitro |
In HCT116 cells, ML-792 (0.0007-5 μM; 4 hours) suppresses the activities of the SAE and SUMO-pathway[1].
ML-792 (0.001-10 μM; 72 hours) in MDA-MB-468, MDA-MB-231, HCT116, Colo-205, and A375 reduces cancer cell viability and inhibits cell proliferation[1]. |
| Cell Assay |
Cell Line: Human melanoma cell line A37; human colon carcinoma cells HCT116 and Colo-205; human breast cancer cells MDA-MB-468 and MDA-MB-231.
Concentration: 0.001, 0.01, 0.1, 1, 10 μM Incubation Time: 72 hours Result: The viability effect was shown to be dose-dependent, with EC50 values ranging from 0.06 μM in MDA-MB-468 cells to 0.45 μM in A375 cells. |
| References |
| Molecular Formula |
C21H23BRN6O5S
|
|---|---|
| Molecular Weight |
551.413522005081
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| Exact Mass |
550.063
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| Elemental Analysis |
C, 45.74; H, 4.20; Br, 14.49; N, 15.24; O, 14.51; S, 5.81
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| CAS # |
1644342-14-2
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| PubChem CID |
86566743
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
815.1±75.0 °C at 760 mmHg
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| Flash Point |
446.7±37.1 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.740
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| LogP |
1.71
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
34
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| Complexity |
801
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| Defined Atom Stereocenter Count |
3
|
| SMILES |
BrC1=CC=CC(=C1)CN1C=CC(C(C2=CN=CN=C2N[C@H]2C[C@@H]([C@@H](COS(N)(=O)=O)C2)O)=O)=N1
|
| InChi Key |
PZCKLTWSXFDLLP-OGWOLHLISA-N
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| InChi Code |
InChI=1S/C21H23BrN6O5S/c22-15-3-1-2-13(6-15)10-28-5-4-18(27-28)20(30)17-9-24-12-25-21(17)26-16-7-14(19(29)8-16)11-33-34(23,31)32/h1-6,9,12,14,16,19,29H,7-8,10-11H2,(H2,23,31,32)(H,24,25,26)/t14-,16-,19+/m1/s1
|
| Chemical Name |
((1R,2S,4R)-4-((5-(1-(3-bromobenzyl)-1H-pyrazole-3-carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate
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| Synonyms |
ML-792; ML 792; ML792
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| HS Tariff Code |
2934.99.03.00
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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 ( ~181.35 mM )
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.77 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 20.8 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: ≥ 2.08 mg/mL (3.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8135 mL | 9.0677 mL | 18.1353 mL | |
| 5 mM | 0.3627 mL | 1.8135 mL | 3.6271 mL | |
| 10 mM | 0.1814 mL | 0.9068 mL | 1.8135 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.
Products are for research use only; We do not sell to patients
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