Introduction：Basic information about CAS 934541-31-8|TAK-901, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | TAK-901 |
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| CAS Number | 934541-31-8 | Molecular Weight | 504.644 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 761.7±60.0 °C at 760 mmHg |
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| Molecular Formula | C28H32N4O3S | Melting Point | / |
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| MSDS | / | Flash Point | 414.5±32.9 °C |
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Names
| Name | 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide |
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| Synonym | More Synonyms |
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TAK-901 BiologicalActivity
| Description | TAK-901 is a multi-targeted aurora inhibitor with IC50s of 21 and 15 nM for aurora A and B, respectively. |
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| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>Aurora KinaseSignaling Pathways >>Epigenetics >>Aurora KinaseResearch Areas >>Cancer |
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| Target | Aurora A:21 nM (IC50) Aurora B:15 nM (IC50) |
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| In Vitro | TAK-901 exhibits time-dependent, tight-binding inhibition of Aurora B, but not Aurora A. Consistent with Aurora B inhibition, TAK-901 suppresses cellular histone H3 phosphorylation and induces polyploidy. In various human cancer cell lines, TAK-901inhibits cell proliferation with effective concentration values from 40 to 500 nM. Examination of a broad panel of kinases in biochemical assays reveals inhibition of multiple kinases. However, TAK-901 potently inhibits only a few kinases other than Aurora B in intact cells, including FLT3 and FGFR2[1]. |
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| In Vivo | In rodent xenografts, TAK-901 exhibits potent activity against multiple human solid tumor types, and complete regression is observed in the ovarian cancer A2780 model. TAK-901 also displayed potent activity against several leukemia models. TAK-901 induces pharmacodynamic responses consistent with Aurora B inhibition and correlating with retention of TAK-901 in tumor tissue[1]. |
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| Kinase Assay | Enzyme activities of Aurora A/TPX2 and Aurora B/INCENP complexes are assayed at room temperature in buffer containing serially diluted TAK-901, and the product is quantified using IMAP detection reagents. Aurora A/TPX2 (2 nM) is assayed with 100 nM FL-Kemptide and 1 mM ATP. Aurora B/INCENP (0.8 nM) is assayed with 100 nM 5-carboxy-fluorescein-GRTGRRNSI-NH2 (FL-PKAtide) and 10 mM ATP. For time-dependent inhibition, Aurora B/INCENP is incubated with TAK-901 for 1 hour at room temperature followed by addition of 150 mM ATP to initiate the reaction[1]. |
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| Cell Assay | Cells are plated in 96-well microtiter plates and incubated with serial dilutions of TAK-901 for 72 hours. Cell proliferation is determined by ELISA analysis of bromodeoxyuridine (BrdUrd) incorporation into DNA. IMR-90 immortalized lung fibroblasts are seeded in 96-well microtiter plates and cultured for 3 to 4 days until confluent. Cells are then incubated with serial dilutions of TAK-901 for 72 hours. The MTS assay is conducted[1]. |
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| Animal Admin | Mice: Tumor-bearing mice or rats are treated intravenously twice daily (b.i.d.) with either vehicle or TAK-901 on 2 consecutive days per week or every other day for 2 or 3 cycles. The antitumor activity of TAK-901 in human tumor and leukemia xenograft models are monitored[1]. Nude rats bearing A2780 tumors averaging 250 to 500 mg receive an intravenous dose of TAK-901. Plasma samples are collected by terminal cardiac puncture under CO2 anesthesia. Tumors are dissected and snap-frozen at -80°C[1]. |
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| References | [1]. Farrell P, et al. Biological characterization of TAK-901, an investigational, novel, multitargeted Aurora B kinase inhibitor. Mol Cancer Ther. 2013 Apr;12(4):460-70. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 761.7±60.0 °C at 760 mmHg |
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| Molecular Formula | C28H32N4O3S |
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| Molecular Weight | 504.644 |
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| Flash Point | 414.5±32.9 °C |
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| Exact Mass | 504.219513 |
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| PSA | 107.03000 |
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| LogP | 3.65 |
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| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
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| Index of Refraction | 1.685 |
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| InChIKey | WKDACQVEJIVHMZ-UHFFFAOYSA-N |
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| SMILES | CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1 |
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| Storage condition | -20℃ |
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Synonyms
| 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-1H-pyrido[2,3-b]indole-7-carboxamide |
| TAK-901 |
| 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide |
| 9H-Pyrido[2,3-b]indole-7-carboxamide, 5-[3-(ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)- |
| cc-11 |
| pound not TAK901 pound not TAK 901 |
