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| 5mg |
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| 100mg |
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Alectinib HCl (formerly AF802, CH5424802 or RO5424802; trade name ALECENSA) is a potent, selective, and orally bioavailable inhibitor of ALK (anaplastic lymphoma kinase) tyrosine kinase with IC50 value of 1.9 nM in cell-free assays. The Food and Drug Administration (FDA) approved alelectinib for the treatment of patients with ALK-positive non-small cell lung cancer (NSCLC) due to its possible anticancer activity.
| Targets |
ALK (IC50 = 1.9 nM); ALKF1174L (IC50 = 1 nM); ALKR1275Q (IC50 = 3.5 nM); ALK (Kd = 2.4 nM)
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| ln Vitro |
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| ln Vivo |
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| Enzyme Assay |
The ability of each kinase, with the exception of MEK1 and Raf-1, to phosphorylate different substrate peptides in the presence of CH5424802 is assessed by means of the time-resolved fluorescence resonance energy transfer (TR-FRET) assay or the fluorescence polarization (FP) assay. By quantitatively analyzing the phosphorylation of a substrate peptide by a recombinant ERK2 protein in the presence of CH5424802, the inhibitory activity against MEK1 is assessed. The kinases' capacity to phosphorylate MEK1 in the presence of CH5424802 is used to measure their inhibitory activity against Raf-1.
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| Cell Assay |
In 96-well plates, cells (NSCLC, A549, and HCC827) are seeded overnight, and then different concentrations of CH5424802 are incubated for the specified amount of time. In order to perform the spheroid cell growth inhibition assay, cells are first seeded onto spheroid plates, incubated for a full night, and then exposed to the compound for the prescribed duration of time. The Luminescent Cell Viability Assay determines the number of viable cells. The Caspase-Glo 3/7 Assay Kit is used to assess the Caspase-3/7 assay.
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| Animal Protocol |
SCID or nude mice bearing NCI-H2228 cells
0.2 mg/kg, 0.6 mg/kg, 2 mg/kg, 6 mg/kg, 20 mg/kg Oral administration; once daily; for 11 days |
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| References | ||
| Additional Infomation |
Alectinib hydrochloride is a hydrochloride obtained by combining alectinib with one molar equivalent of hydrochloric acid. Used for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains an alectinib(1+).
See also: Alectinib (has active moiety). Drug Indication Alecensa as monotherapy is indicated for the first-line treatment of adult patients with anaplastic lymphoma kinase (ALK)-positive advanced non-small cell lung cancer (NSCLC). Alecensa as monotherapy is indicated for the treatment of adult patients with ALKâpositive advanced NSCLC previously treated with crizotinib. |
| Molecular Formula |
C30H34N4O2.HCL
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|---|---|
| Molecular Weight |
519.08
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| Exact Mass |
518.244
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| Elemental Analysis |
C, 69.42; H, 6.80; Cl, 6.83; N, 10.79; O, 6.16
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| CAS # |
1256589-74-8
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| Related CAS # |
Alectinib;1256580-46-7
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| PubChem CID |
53239799
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| Appearance |
White to off-white solid powder
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| LogP |
5.578
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
37
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| Complexity |
867
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].O1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])N(C2C(C([H])([H])C([H])([H])[H])=C([H])C3C(C4C5C([H])=C([H])C(C#N)=C([H])C=5N([H])C=4C(C([H])([H])[H])(C([H])([H])[H])C=3C=2[H])=O)C([H])([H])C1([H])[H]
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| InChi Key |
GYABBVHSRIHYJR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H
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| Chemical Name |
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydrochloride
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| Synonyms |
AF802 HCl; RO5424802 HCl; RO 5424802 HCl; RO-5424802 HCl; AF 802 HCl; AF-802 HCl; CH5424802 HCl; CH 5424802 HCl; CH-5424802 HCl; trade name: Alecensa
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
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| Solubility (In Vivo) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9265 mL | 9.6324 mL | 19.2649 mL | |
| 5 mM | 0.3853 mL | 1.9265 mL | 3.8530 mL | |
| 10 mM | 0.1926 mL | 0.9632 mL | 1.9265 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05987956 | Not yet recruiting | Drug: Alectinib - Usual Drug: Alectinib - Study |
Non-small Cell Lung Cancer | Han Xu, M.D., Ph.D., FAPCR, Sponsor-Investigator, IRB Chair |
November 8, 2023 | Phase 2 Phase 3 |
| NCT01801111 | Completed | Drug: Erlotinib Drug: Alectinib |
Non-Small-Cell Lung Carcinoma | Hoffmann-La Roche | June 20, 2013 | Phase 1 Phase 2 |
| NCT02013219 | Completed | Drug: Alectinib Drug: Erlotinib |
Non-Small Cell Lung Cancer | Hoffmann-La Roche | April 3, 2014 | Phase 1 |
The structure and cytotoxicity of alectinib.Exp Mol Med. 2017 Mar; 49(3): e303. |
Potentiation of the anticancer effects of paclitaxel by alectinib in the KBv200 cell xenograft nude mice model. The tumor growth curve was drawn to monitor the tumor volume with time after implantation. The data shown are expressed as the mean±s.d. of the tumor volume for each group (n=9) (a).Exp Mol Med. 2017 Mar; 49(3): e303. |
Effect of alectinib on the intracellular accumulations of DOX and Rho 123 in MDR cells and in their parental sensitive cells.Exp Mol Med. 2017 Mar; 49(3): e303. |
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