| Size | Price | |
|---|---|---|
| 1mg | ||
| 5mg | ||
| 10mg | ||
| Other Sizes |
| ln Vitro |
ITK7, an inhibitor of PARP11, has an IC50 value of 14 nM and can effectively inhibit PARP11[1]. ITK7 inhibits PARP11-dependent autologous MARylation in a dose-dependent manner; its EC50 value is 13 nM [1]. In cells, ITK7 (0, 0.03, 0.1, 0.3, 1, 3 μM; 3 h) inhibits PARP11's automethylation activity and causes PARP11 to separate from the nuclear membrane [1].
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|---|---|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: HeLa cells Tested Concentrations: 0, 0.03, 0.1, 0.3, 1, 3 μM Incubation Duration: 3 hrs (hours) Experimental Results: Inhibited GFP-PARP11 self-MARylation activity in HeLa cells in a dose-dependent manner. |
| References | |
| Additional Infomation |
ITK7 belongs to the quinazoline class of compounds, with the structure quinazoline-4(3H)-one, substituted at positions 2, 7, and 8 by (pyrimidin-2-ylthio)methyl, prop-1-yn-1-yl, and methyl, respectively. It is a potent PARP11 inhibitor (IC50 = 14 nM). It also inhibits NAD(+) ADP-ribosyltransferase (EC 2.4.2.30). ITK7 is an organosulfur compound belonging to the quinazoline, pyrimidine, and arylaceyne classes.
|
| Molecular Formula |
C17H14N4OS
|
|---|---|
| Molecular Weight |
322.384261608124
|
| Exact Mass |
322.088
|
| CAS # |
2411890-36-1
|
| PubChem CID |
137701959
|
| Appearance |
White to off-white solid powder
|
| LogP |
2.7
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
23
|
| Complexity |
543
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1C2=C(C=CC(C#CC)=C2C)C(=O)NC=1CSC1=NC=CC=N1
|
| InChi Key |
VRECINGNBPANGK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C17H14N4OS/c1-3-5-12-6-7-13-15(11(12)2)20-14(21-16(13)22)10-23-17-18-8-4-9-19-17/h4,6-9H,10H2,1-2H3,(H,20,21,22)
|
| Chemical Name |
8-methyl-7-prop-1-ynyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~4 mg/mL (~12.41 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (15.51 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), Suspended solution; with ultrasonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 10 mg/mL (31.02 mM) in 15% Cremophor EL + 85% Saline (add these co-solvents sequentially from left to right, and one by one), Suspended solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1019 mL | 15.5096 mL | 31.0193 mL | |
| 5 mM | 0.6204 mL | 3.1019 mL | 6.2039 mL | |
| 10 mM | 0.3102 mL | 1.5510 mL | 3.1019 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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