4-Methyl-3-((1-Methyl-6-(Pyridin-3-Yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Yl)Amino)-N-(3-(Trifluoromethyl)Phenyl)Benzamide 4-甲基-3-((1-甲基-6-(吡啶-3-基)-1H-吡唑并[3,4-d]嘧啶-4-基)氨基)-N-(3-(三氟甲基)苯基)苯甲酰胺
CAS 940310-85-0 MFCD20272929
化学结构图
SMILES: Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
化学属性
| Mol. Weight | 503.48 |
|---|---|
| Mol. Formula | C26H20F3N7O |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]-benzamide NVP BHG712; NVP BHG-712; NVP BHG 712; BHG-712; BHG712; BHG 712. |
|---|---|
| MDL Number | MFCD20272929 |
| Chemical Name | 4-Methyl-3-((1-Methyl-6-(Pyridin-3-Yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Yl)Amino)-N-(3-(Trifluoromethyl)Phenyl)Benzamide |
| Chemical Name Translation | 4-甲基-3-((1-甲基-6-(吡啶-3-基)-1H-吡唑并[3,4-d]嘧啶-4-基)氨基)-N-(3-(三氟甲基)苯基)苯甲酰胺 |
| PubChem Substance ID | 354335680 |
| Formula | C26H20F3N7O |
| IUPAC Name | 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide |
| InChIKey | ZCCPLJOKGAACRT-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35) |
| Canonical SMILES | O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC=C(C)C(NC3=C4C(N(C)N=C4)=NC(C5=CC=CN=C5)=N3)=C2 |
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分类
- {SNA} Cell Biology, Cell Signaling and Neuroscience, Kinase/Phosphatase Biology, Receptor Tyrosine Kinase Biology, Receptor Tyrosine Kinase Inhibitors, Tyrosine Kinase (TK)
- {SNA} Bioactive Small Molecule Alphabetical Index, Kinase/Phosphatase Biology, N, Receptor Tyrosine Kinase Biology, Receptor Tyrosine Kinase Inhibitors, Tyrosine Kinase (TK), 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
产品应用
- NVP-BHG712, also known as BHG-712, is a EphB4 kinase inhibitor and BCR-ABL inhibitor. NVP-BHG712, which inhibits EphB4 kinase activity in the low nanomolar range in cellular assays showed high selectivity for targeting the EphB4 kinase when profiled against other kinases in biochemical as well as in cell based assays. BHG-712 shows excellent pharmacokinetic properties and potently inhibits EphB4 autophosphorylation in tissues after oral administration.
安全信息
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
GHS Symbol
- P301+P310
- R25 Toxic if swallowed 吞咽有毒
