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Purity: ≥98%
DKM 2-93 is a covalent and selective inhibitor of the ubiquitin-like modifier activating enzyme 5 (UBA5). DKM 2-93 is a covalent ligand that impairs pancreatic cancer cell survival and in vivo tumor growth through covalently modifying the catalytic cysteine of UBA5, thereby inhibiting its activity as a protein that activates the ubiquitin-like protein UFM1 to UFMylate proteins. UBA5 is a novel pancreatic cancer therapeutic target and DKM 2-93 as a relatively selective lead inhibitor of UBA5.
| Targets |
UBA5(IC50= 430 μM);PaCa2 cells(IC50= 90 μM);Panc1 cells(IC50= 30 μM)
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|---|---|
| ln Vitro |
UBA5, or ubiquitin-like modifier activating enzyme 5, is a novel therapeutic target for pancreatic cancer. By covalently altering UBA5's catalytic cysteine, DKM 2-93 reduces the viability of pancreatic cancer cells by impeding UBA5's ability to function as a protein that triggers the ubiquitin-like protein UFM1 to UFMylate proteins. DKM 2-93 has an IC50 of 30 μM for Panc1 and 90 μM for PaCa2 cells, respectively, which inhibits their survival[1].
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| ln Vivo |
In tumor xenograft studies in immune-deficient mice, a daily dose of DKM 2-93 significantly inhibits the growth of PaCa2 cells tumors in vivo without causing weight loss or overt toxicity[1].
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| Cell Assay |
For 48 hours, PaCa2 and Panc1 cells are exposed to 0-1000 μM DKM 2-93. Hoescht stain is used to measure cell viability[1].
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| Animal Protocol |
Mice
To begin the tumor xenograft study, mice are given subcutaneous injections of PaCa2 cells. Three days later, the mice are given either vehicle or DKM 2-93 (50 mg/kg ip, once daily) as a treatment[1]. |
| References |
| Molecular Formula |
C11H14CLNO3
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|---|---|---|
| Molecular Weight |
243.07
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| Exact Mass |
243.066
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| Elemental Analysis |
C, 54.22; H, 5.79; Cl, 14.55; N, 5.75; O, 19.70
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| CAS # |
65836-72-8
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| Related CAS # |
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| PubChem CID |
2392259
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| Appearance |
White to light yellow solid powder
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| Density |
1.194g/cm3
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| Boiling Point |
425.7ºC at 760 mmHg
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| Flash Point |
211.3ºC
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| Index of Refraction |
1.522
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| LogP |
1.949
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
16
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| Complexity |
225
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC([H])([H])C(N([H])C([H])([H])C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])OC([H])([H])[H])=O
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| InChi Key |
CETPWRGZGWGPSV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
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| Chemical Name |
2-Chloro-N-(3,4-dimethoxy-benzyl)-acetamide
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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) |
DMSO : 49~125 mg/mL ( 201.07~512.95 mM )
Ethanol : ~14 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.54 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 (8.54 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 (8.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 5% DMSO + Corn oil: 5mg/ml |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1140 mL | 20.5702 mL | 41.1404 mL | |
| 5 mM | 0.8228 mL | 4.1140 mL | 8.2281 mL | |
| 10 mM | 0.4114 mL | 2.0570 mL | 4.1140 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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