BMF-219 CAS#: 2448172-22-1; 凯望编码 (ChemWhat Code): 1410271
Identification
| 英文名 | BMF-219 |
| IUPAC Name | pyridin-3-amine |
| 分子结构 |  |
| CAS编号 | 2448172-22-1 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| 别名 | No data available |
| 分子式 | C31H34N8O3 |
| 分子量 | 566.65 |
| InChI | No data available |
| InChI Key | CPRLHPSXWZTPMC-XMMPIXPASA-N |
| Canonical SMILES | No data available |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2020/142557 | IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION | 2020 |
Physical Data
| Appearance | White powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 | NMR : DMSO _400MHz 12.20 (s, 1H), 10.73 (s, 1H), 8.68 (d, = 5.01 Hz, 1H), 8.18 (s, 1H), 8.11 (s, 1H), 7.96 – 8.03 (m, 3H), 7.88 – 7.94 (m, 2H), 7.62 (d, J = 4.16 Hz, lH), 7.16 (s, 1H), 6.17 – 6.27 (m, 1H), 6.01 – 6.09 (m, 1H), 5.56 (dd, J= 10.15, 2.20 Hz, 1H), 3.86 – 3.92 (m, 4H), 3.79 – 3.86 (m, 1H), 3.72 – 3.79 (m, 4H), 3.66 (s, 2H), 2.79 (br d, J= 7.70 Hz, 1H), 2.65 (br d, J= 11.98 Hz, 1H), 1.99 – 2.10 (m, 1H), 1.91 (br \, J= 9.90 Hz, 1H), 1.63 – 1.83 (m, 2H), 1.46 – 1.62 (m, 1H), 1.12 – 1.32 (m, 1H) |
Route of Synthesis (ROS)
| Conditions | Yield |
| With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; | 0.15g |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 566.663 |
| logP | 3.114 |
| HBA | 11 |
| HBD | 3 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 128.37 |
| Rotatable Bond (RotB) | 10 |
| Matching Veber Rules | 2 |
| Bioactivity |
| In vitro: Efficacy |
| Quantitative Results |
| pX | Parameter | Value (qual) | Value (quant) | Unit | Action on target | Target | Cell | Dose | Effect |
| 8.3 | IC50 | > | 5 | nM | InhibitorInhibitor | Histone-lysine N-methyltransferase 2A [human]:WildAF4/FMR2 family member 1:Wild | RS4 11 cell line | 0.027 – 20 μM | antineoplastic agent |
| 7.3 | IC50 | 50 | nM | Inhibitor | Histone-lysine N-methyltransferase 2A [human]:WildMenin [human]:Wild | MOLM-13 cell line | 0.02 – 10 μM | antineoplastic agent | |
| 7.22 | IC50 | 60 | nM | Inhibitor | Histone-lysine N-methyltransferase 2A [human]:WildMenin [human]:Wild | MV4-11 cell line | 0.02 – 10 μM | antineoplastic agent | |
| 7 | IC50 | 100 | nM | Inhibitor | Histone-lysine N-methyltransferase 2A [human]:WildMenin [human]:Wild | MOLM-13 cell line | 0.02 – 10 μM | antineoplastic agent | |
| 6.82 | IC50 | 150 | nM | Inhibitor | Histone-lysine N-methyltransferase 2A [human]:WildMenin [human]:Wild | MV4-11 cell line | 0.02 – 10 μM | antineoplastic agent | |
| 6.66 | IC50 | 0.22 | μM | Inhibitor | Histone-lysine N-methyltransferase 2A [human]:WildMenin [human]:Wild | MIA PaCa-2 cell line | 0.02 – 10 μM | antineoplastic agent | |
| 6.3 | IC50 | 500 | nM | Histone-lysine N-methyltransferase 2A [human]:WildAF4/FMR2 family member 1:Wild | RS4 11 cell line | 0.027 – 20 μM | antineoplastic agent |
| Use Pattern |
| BMF-219 CAS#: 2448172-22-1 used in the treatment of type II diabetes, multiple myeloma, acute lymphoblastic leukemia, acute myeloid leukemia, diffuse large B-cell lymphoma, solid tumors. |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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