1258861-20-9
中文名稱
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
英文名稱
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
2025/07/28 11:16:51
1258861-20-9 結(jié)構(gòu)式
基本信息
中文別名
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)
英文別名
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
所屬類別
生物化工：Hedgehog/Smoothened 抑制劑物理化學(xué)性質(zhì)
沸點(diǎn)703.5±60.0 °C(Predicted)
密度1.39
儲存條件-20°C儲存
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
酸度系數(shù)(pKa)7.94±0.30(Predicted)
形態(tài)結(jié)晶固體
顏色White to off-white
制備方法
方法1
1258861-50-5
189807-21-4
1258861-20-9
實(shí)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)苯甲酰胺的合成步驟：將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）。反應(yīng)混合物在室溫下攪拌3小時。反應(yīng)完成后，減壓濃縮去除溶劑。所得殘余物通過快速硅膠色譜法純化，洗脫劑比例為己烷:乙酸乙酯:2M NH3的甲醇溶液=20:5:1，得到目標(biāo)產(chǎn)物游離堿，為黃色泡沫（3.83g，收率86%）。質(zhì)譜分析顯示ES/MS m/z 513.0（[M+H]+）。
參考文獻(xiàn)：
[1] Patent: US2010/324048, 2010, A1. Location in patent: Page/Page column 6
常見問題列表
生物活性
Taladegib (LY2940680)與Smoothened(Smo)受體結(jié)合，有效抑制Hedgehog(Hh)信號通路。Phase 1/2。體外研究
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.體內(nèi)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.靶點(diǎn)
| 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)苯甲酰胺價格(試劑級)
| 報價日期 | 產(chǎn)品編號 | 產(chǎn)品名稱 | CAS號 | 包裝 | 價格 |
| 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 |