| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
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| ln Vitro |
By lowering irinotecan-induced diarrhea, hiCE inhibitors (e.g., 4,4'-dimethoxybenzoyl, compound 8) may boost the anticancer activity of irinotecan. In order to uncover effective hiCE inhibitors, a new virtual screening scheme was presented that integrates pharmacophore models derived from the hiCE structure and its ligands [1].
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|---|---|
| References |
[1]. GuoDong Zhang, et al. Predicting hiCE inhibitors based upon pharmacophore models derived from the receptor and its ligands. Science China Chemistry
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| Molecular Formula |
C16H14O4
|
|---|---|
| Molecular Weight |
270.2800
|
| Exact Mass |
270.089
|
| CAS # |
1226-42-2
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| PubChem CID |
71043
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| Appearance |
Light yellow to green yellow solid powder
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| Density |
1.183g/cm3
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| Boiling Point |
442.2ºC at 760 mmHg
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| Melting Point |
132-134ºC(lit.)
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| Flash Point |
197.5ºC
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| Vapour Pressure |
5.13E-08mmHg at 25°C
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| Index of Refraction |
1.566
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| LogP |
2.769
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
|
| Heavy Atom Count |
20
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| Complexity |
302
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])C(C(C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])[H])=O)=O
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| InChi Key |
YNANGXWUZWWFKX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
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| Chemical Name |
1,2-bis(4-methoxyphenyl)ethane-1,2-dione
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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)
|
| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~184.99 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.25 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6999 mL | 18.4993 mL | 36.9987 mL | |
| 5 mM | 0.7400 mL | 3.6999 mL | 7.3997 mL | |
| 10 mM | 0.3700 mL | 1.8499 mL | 3.6999 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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