| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
Compound 5 (enbezotinib) (0.3-300 nM) inhibits p-RET (y905) in cells triggered by RET [1].
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|---|---|
| ln Vivo |
Embetinib (Compound 5) decreases the growth of tumors in mice when given twice daily for 27 days at a dose of 2–5 mg/kg [1].
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| References | |
| Additional Infomation |
Enbezotinib is an orally bioavailable selective dual inhibitor of fusions and mutations involving the proto-oncogene receptor tyrosine kinase rearranged during transfection (ret) and the src family tyrosine kinases, with potential antineoplastic activity. Upon oral administration, enbezotinib specifically targets and binds to ret mutants and ret-containing fusion products. This results in an inhibition of cell growth of tumor cells that exhibit increased ret activity. By inhibiting src kinase-mediated signaling and reducing the src-initiated recruitment of multiple receptor tyrosine kinases involved in bypass resistance, enbezotinib may be able to overcome tumor resistance which may increase its therapeutic effect. Ret overexpression, activating mutations, and fusions result in the upregulation and/or overactivation of ret tyrosine kinase activity in various cancer cell types; dysregulation of ret activity plays a key role in the development and progression of these cancers. Src tyrosine kinases are upregulated in many tumor cells and play important roles in tumor cell proliferation, survival, migration, invasion and angiogenesis. Src upregulation is seen in tumors with acquired resistance to RET inhibitors.
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| Molecular Formula |
C21H21FN6O3
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|---|---|
| Molecular Weight |
424.43
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| Exact Mass |
424.17
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| Elemental Analysis |
C, 59.43; H, 4.99; F, 4.48; N, 19.80; O, 11.31
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| CAS # |
2359649-81-1
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| Related CAS # |
Enbezotinib (enantiomer);2359650-19-2
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| PubChem CID |
146662764
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| Appearance |
White to off-white solid powder
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
31
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| Complexity |
702
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O1C2=NC=C(F)C=C2CN2[C@]3([H])CCC[C@]3([H])OC3=CN4C(N=C23)=C(C=N4)C(=O)NC[C@@H]1C
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| InChi Key |
BYYQDEOVMILBQT-XZJROXQQSA-N
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| InChi Code |
InChI=1S/C21H21FN6O3/c1-11-6-23-20(29)14-8-25-28-10-17-19(26-18(14)28)27(15-3-2-4-16(15)31-17)9-12-5-13(22)7-24-21(12)30-11/h5,7-8,10-11,15-16H,2-4,6,9H2,1H3,(H,23,29)/t11-,15+,16-/m0/s1
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| Chemical Name |
(13E,14E,15aR,18aS,5S)-35-Fluoro-5-methyl-15,15a,16,17,18,18a-hexahydro-4-oxa-7-aza-1(5,3)-cyclopenta[b]pyrazolo[1',5':1,2]pyrimido[4,5-e][1,4]oxazina-3(3,2)-pyridinacyclooctaphan-8-one
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| Synonyms |
TPX-0046; TPX 0046; TPX0046; Enbezotinib;
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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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~235.61 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.90 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 20.8 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 | 2.3561 mL | 11.7805 mL | 23.5610 mL | |
| 5 mM | 0.4712 mL | 2.3561 mL | 4.7122 mL | |
| 10 mM | 0.2356 mL | 1.1781 mL | 2.3561 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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