| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Aurora A
|
|---|---|
| ln Vitro |
The degradation of AURKA is seen in dAURK-4 (125-1000 nM; 4-24 hours) in a dose-dependent manner [1].
|
| Cell Assay |
Cell viability assay [1]
Cell Types: MM.1S Cell Tested Concentrations: 125 nM, 250 nM, 500 nM, 1000 nM Incubation Duration: 4 hrs (hours) or 24 hrs (hours) Experimental Results: Inhibition of AURKA (Aurora A) protein levels. |
| References | |
| Additional Infomation |
Targeted protein degradation (TPD) refers to the use of small molecules to induce ubiquitin-dependent protein degradation. TPD is of great significance in drug development because it can target previously hard-to-reach targets. However, due to a lack of understanding of the relative importance of the key molecular events required to induce target degradation, the discovery and optimization of degradative agents remains an inefficient process. In this paper, we use chemical proteomics to annotate the degradable kinase genome. The large dataset we constructed provides chemical lead compounds for about 200 kinases and demonstrates that the current method of screening starting with the most active binder is not an efficient way to discover active compounds. We developed multi-target degradative agents to answer fundamental questions about the ubiquitin-proteasome system and revealed that kinase degradation depends on p97. This work will not only advance the discovery of kinase degradative agents but also provide a blueprint for assessing targeted degradation of the entire gene family, thereby accelerating the understanding of TPD beyond the scope of the kinase genome. [1]
|
| Molecular Formula |
C52H52CLFN8O12
|
|---|---|
| Molecular Weight |
1035.46709537506
|
| Exact Mass |
1034.337
|
| CAS # |
2705844-81-9
|
| Related CAS # |
dAURK-4 hydrochloride
|
| PubChem CID |
139444718
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
4.3
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
17
|
| Rotatable Bond Count |
24
|
| Heavy Atom Count |
74
|
| Complexity |
1960
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)NCCCOCCOCCOCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)OC
|
| InChi Key |
AQMSIRIHYNCQKO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C52H52ClFN8O12/c1-69-39-9-4-8-37(54)45(39)47-36-25-31(53)11-13-33(36)46-30(27-57-47)28-58-52(61-46)59-32-12-14-34(41(26-32)70-2)48(65)56-18-6-20-72-22-24-73-23-21-71-19-5-17-55-43(64)29-74-40-10-3-7-35-44(40)51(68)62(50(35)67)38-15-16-42(63)60-49(38)66/h3-4,7-14,25-26,28,38H,5-6,15-24,27,29H2,1-2H3,(H,55,64)(H,56,65)(H,58,59,61)(H,60,63,66)
|
| Chemical Name |
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-2-methoxybenzamide
|
| Synonyms |
dAURK-4; 2705844-81-9; SCHEMBL21307511; 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-N-(1-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)-2-oxo-7,10,13-trioxa-3-azahexadecan-16-yl)-2-methoxybenzamide;
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.9657 mL | 4.8287 mL | 9.6575 mL | |
| 5 mM | 0.1931 mL | 0.9657 mL | 1.9315 mL | |
| 10 mM | 0.0966 mL | 0.4829 mL | 0.9657 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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