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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 |
[1]. Liu F, et al. Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J Med Chem. 2009 Dec 24;52(24):7950-3.
[2]. Liu F, et al. Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines. J Med Chem. 2010 Aug 12;53(15):5844-57. |
Molecular Formula |
C26H43N7O2
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Molecular Weight |
485.66532
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CAS # |
1197196-48-7
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SMILES |
CN1CCC(NC2=C3C=C(OC)C(OCCCN(C)C)=CC3=NC(N4CCN(C)CCC4)=N2)CC1
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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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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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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.