WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H205799
CAS#: 1256580-46-7 (free base)
Description: Alectinib, also known as AF802, or CH5424802 or RO5424802, is a potent, selective, and orally available ALK inhibitor with a unique chemical scaffold, showing preferential antitumor activity against cancers with gene alterations of ALK, such as nonsmall cell lung cancer (NSCLC) cells expressing EML4-ALK fusion and anaplastic large-cell lymphoma (ALCL) cells expressing NPM-ALK fusion in vitro and in vivo. CH5424802 inhibited ALK L1196M, which corresponds to the gatekeeper mutation conferring common resistance to kinase inhibitors, and blocked EML4-ALK L1196M-driven cell growth. Alectinib was approved in Dec. 2015.
Hodoodo Cat#: H205799
Name: Alectinib free base
CAS#: 1256580-46-7 (free base)
Chemical Formula: C30H34N4O2
Exact Mass: 482.27
Molecular Weight: 482.620
Elemental Analysis: C, 74.66; H, 7.10; N, 11.61; O, 6.63
Related CAS #: 1256580-46-7 (free base) 1256589-74-8 (HCl)
Synonym: AF 802; AF-802; AF802; CH5424802; CH5424802; CH 5424802; RO5424802; RO 5424802; RO5424802, Alectinib; brand name: Alecensa
IUPAC/Chemical Name: 9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
InChi Key: KDGFLJKFZUIJMX-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H34N4O2/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
SMILES Code: N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCOCC6)CC5)=C(CC)C=C4C3=O)N2
Appearance: White to off-white solidw powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info: Related CAS# CAS#1256580-46-7 (Alectinib free base) CAS#1256589-74-8 (Alectinib HCl)
| Biological target: | Alectinib (CH5424802, AF-802, RG-7853) is a potent ALK inhibitor with IC50 of 1.9 nM in cell-free assays. |
| In vitro activity: | The effects of alectinib on NCOA4-RET (rearranged during transfection) fusion-positive tumor cells were investigated in vitro. Alectinib inhibited the viability of NCOA4-RET-positive EHMES-10 cells, as well as CCDC6-RET-positive LC-2/ad and TPC-1 cells, in a dose-dependent manner. This was achieved via inhibition of the phosphorylation of RET and induction of apoptosis. Reference: Oncotarget. 2017 May 16;8(43):73766-73773. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5650298/ |
| In vivo activity: | EHMES-10 cells developed pleural carcinomatosis accompanied by thoracic tumors and malignant pleural effusions within 28 days after intrathoracic (orthotopic) inoculation (Figure 4A). Alectinib treatment given from day 15 to day 28 remarkably inhibited the production of thoracic tumors and pleural effusions as determined by CT scans on day 28 (Figure 4A). Accordingly, the weight of thoracic tumors and the volume of pleural effusions in alectinib-treated mice were significantly lower than those of control mice (Figure 4B, 4C). To further assess whether alectinib rescued pleural carcinomatosis, an in vivo imaging model was utilized. For this model, luciferase-transfected EHMES-10 cells (EHMES-10/Eluc) were established. Elevated bioluminescence was detected in mice inoculated with EHMES-10/Eluc cells by day 24, indicating the presence of pleural carcinomatosis. Bioluminescence in control mice consistently increased over the course of the experiment, but bioluminescence in alectinib-treated mice decreased. These results clearly indicated that alectinib treatment rescued the pleural carcinomatosis produced by EHMES-10/Eluc cells (Figure 5A, 5B). Reference: Oncotarget. 2017 May 16;8(43):73766-73773. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5650298/ |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 3.0 | 6.22 | |
| DMF | 3.0 | 6.22 | |
| DMF:PBS (pH 7.2) (1:2) | 0.3 | 0.62 |
The following data is based on the product molecular weight 482.62 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | 1. Arai S, Kita K, Tanimoto A, Takeuchi S, Fukuda K, Sato H, Yano S. In vitro and in vivo anti-tumor activity of alectinib in tumor cells with NCOA4-RET. Oncotarget. 2017 May 16;8(43):73766-73773. doi: 10.18632/oncotarget.17900. PMID: 29088743; PMCID: PMC5650298. |
| In vitro protocol: | 1. Arai S, Kita K, Tanimoto A, Takeuchi S, Fukuda K, Sato H, Yano S. In vitro and in vivo anti-tumor activity of alectinib in tumor cells with NCOA4-RET. Oncotarget. 2017 May 16;8(43):73766-73773. doi: 10.18632/oncotarget.17900. PMID: 29088743; PMCID: PMC5650298. |
| In vivo protocol: | 1. Arai S, Kita K, Tanimoto A, Takeuchi S, Fukuda K, Sato H, Yano S. In vitro and in vivo anti-tumor activity of alectinib in tumor cells with NCOA4-RET. Oncotarget. 2017 May 16;8(43):73766-73773. doi: 10.18632/oncotarget.17900. PMID: 29088743; PMCID: PMC5650298. |
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