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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%
UNC0224 (UNC-0224) is a novel, potent and selective G9a histone methyltransferase inhibitor with anticancer activity. It inhibits G9a with IC50 of 15 nM in in the G9a Thioglo assay. In an ITC experiment to measure the binding affnityaffinity, UNC0224 showed 5-fold higher binding affinity than BIX01294. Through the first X-ray crystal structure of the G9a-UNC0224 complex, it was found that the 7-dimethy -laminopropoxy side chain of UNC0224 indeed occupied the lysine binding channel of G9a nicely, thus validating previous SAR experimental conclusions. In summary, UNC0224 is a significantly more potent G9a inhibitor than BIX-01294. The discovery of UNC0224 and the emergence of the first X-ray crystal structure of G9a with UNC0224 paved the way for studying the mechanism of G9a protein in vivo, which will enable structure-based design of novel inhibitors.
| ln Vitro |
In the G9a ECSD and CLOT tests, UNC0224 (compound 10) had IC50 values of 43 nM and 57 nM, respectively. In the GLP ECSD and CLOT tests, UNC0224's IC50 values were 50 nM and 58 nM, respectively. The Kd value of UNC0224 for the G9a protein in the ITC experiment was 23 nM[2].
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| References |
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| Molecular Formula |
C26H43N7O2
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|---|---|
| Molecular Weight |
485.66532
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| Exact Mass |
485.347
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| CAS # |
1197196-48-7
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| PubChem CID |
44251522
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| Appearance |
White to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
641.0±65.0 °C at 760 mmHg
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| Flash Point |
341.5±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.589
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| LogP |
1.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
35
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| Complexity |
619
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
XIVUGRBSBIXXJE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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| Chemical Name |
7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)-4-quinazolinamine
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| Synonyms |
UNC-0224; UNC0224; UNC 0224
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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 : ~16.67 mg/mL (~34.32 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (3.44 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 16.7 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: ≥ 1.67 mg/mL (3.44 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 16.7 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: ≥ 1.67 mg/mL (3.44 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 | 2.0590 mL | 10.2951 mL | 20.5901 mL | |
| 5 mM | 0.4118 mL | 2.0590 mL | 4.1180 mL | |
| 10 mM | 0.2059 mL | 1.0295 mL | 2.0590 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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