| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
|
| Targets |
IC50: 0.2 nM (KIT D816V)[2]
|
|---|---|
| References |
|
| Additional Infomation |
Elenestinib is a selective KIT inhibitor.
Elenestinib is an orally bioavailable protein tyrosine kinase inhibitor of the mutated form of the tumor-associated antigen (TAA) mast/stem cell factor receptor c-Kit (SCFR), D816V, with potential antineoplastic activity. Upon oral administration, elenestinib binds to and inhibits the specific c-Kit mutant D816V. This may result in an inhibition of cell proliferation in mast cells that overexpress this c-Kit mutation. D816V, a mutation in which the amino acid asparagine aspartic acid at position 816 in the mast/stem cell growth factor receptor Kit protein is replaced by valine, may drive mastocytosis and other mast cell disorders. |
| Molecular Formula |
C27H29FN10O
|
|---|---|
| Molecular Weight |
528.583966970444
|
| Exact Mass |
528.25
|
| CAS # |
2505078-08-8
|
| Related CAS # |
Elenestinib phosphate;2832013-93-9
|
| PubChem CID |
155190269
|
| Appearance |
White to off-white solid powder
|
| LogP |
1.1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
39
|
| Complexity |
789
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
FC1C=CC(=CC=1)[C@@](C)(C1C=NC(=NC=1)N1CCN(C2C3=CC(C4C=NN(CCO)C=4)=CN3N=CN=2)CC1)N
|
| InChi Key |
IPMARPMXSFFZFG-MHZLTWQESA-N
|
| InChi Code |
InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1
|
| Chemical Name |
2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol
|
| 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) |
DMSO: 125 mg/mL (236.48 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (11.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 62.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8919 mL | 9.4593 mL | 18.9186 mL | |
| 5 mM | 0.3784 mL | 1.8919 mL | 3.7837 mL | |
| 10 mM | 0.1892 mL | 0.9459 mL | 1.8919 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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