1258861-20-9
中文名称
4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺
英文名称
LY2940680
CAS
1258861-20-9
分子式
C26H24F4N6O
分子量
512.51
MOL 文件
1258861-20-9.mol
更新日期
2025/08/26 18:06:21
1258861-20-9 结构式
基本信息
中文别名
4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺(LY2940680)
英文别名
LY2940680Taladegib
LY2940680 USP/EP/BP
LY2940680 (Taladegib)
LY 2940680
LY2940680
Taladegib (LY2940680)
Taladegib hydrochloride
4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluo
4-fluoro-N-Methyl-N-[1-[4-(2-Methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoroMethyl)benzaMide
4-fluoro-N-Methyl-N-(1-(4-(1-Methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoroMethyl)benzaMide
所属类别
生物化工：Hedgehog/Smoothened 抑制剂物理化学性质
沸点703.5±60.0 °C(Predicted)
密度1.39
储存条件-20°C储存
溶解度insoluble in H2O; ≥5.2 mg/mL in EtOH with ultrasonic; ≥51.3 mg/mL in DMSO with gentle warming and ultrasonic
酸度系数(pKa)7.94±0.30(Predicted)
形态结晶固体
颜色White to off-white
制备方法
方法1
1258861-50-5
189807-21-4
1258861-20-9
实施例14-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺的合成步骤：将N-甲基-1-[4-(1-甲基-1H-吡唑-5-基)酞嗪-1-基]哌啶-4-胺（2.8g，8.68mmol）和三乙胺（3.36mL，26.1mmol）溶于二氯甲烷（30mL）中，加入4-氟-2-(三氟甲基)苯甲酰氯（2.14mL，10.42mmol）。反应混合物在室温下搅拌3小时。反应完成后，减压浓缩去除溶剂。所得残余物通过快速硅胶色谱法纯化，洗脱剂比例为己烷:乙酸乙酯:2M NH3的甲醇溶液=20:5:1，得到目标产物游离碱，为黄色泡沫（3.83g，收率86%）。质谱分析显示ES/MS m/z 513.0（[M+H]+）。
参考文献：
[1] Patent: US2010/324048, 2010, A1. Location in patent: Page/Page column 6
常见问题列表
生物活性
Taladegib (LY2940680)与Smoothened(Smo)受体结合，有效抑制Hedgehog(Hh)信号通路。Phase 1/2。体外研究
LY2940680 inhibits cancer growth in cell lines containing a mutation in the gene encoding Smoothened that researchers had previously observed in patient with cancer who developed resistance to vismodegib.体内研究
LY2940680 has excellent pharmacokinetic properties in rodent and non-rodent species. LY2940680 administrated orally treats Ptch+/- p53-/- transgenic mice which spontaneously develop medulloblastoma, produces remarkable efficacy and significantly improves their survival. LY2940680 reveals rapid kinetics of anti-tumor activity through magnetic resonance imaging of these mice, and LY2940680 induces Caspase-3 activity and reduces proliferation by immunohistochemistry analysis of medulloblastoma tumors. LY2940680 inhibits Hh regulated gene expression in the subcutaneous xenograft tumor stroma and produces significant anti-tumor activity.靶点
| Target | Value |
| Smoothened |
4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2025/05/22 | HY-13242 | 4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺 Taladegib | 1258861-20-9 | 1 mg | 500元 |
| 2025/05/22 | HY-13242 | 4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺 Taladegib | 1258861-20-9 | 5mg | 1100元 |
| 2025/05/22 | HY-13242 | 4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺 Taladegib | 1258861-20-9 | 10mM * 1mLin DMSO | 1240元 |