4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸
| 中文名稱 | 4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸 |
|---|---|
| 中文同義詞 | 轉(zhuǎn)錄因子STAT3小分子抑制劑(BP-1-102);BP-1-102游離態(tài);化合物BP-1-102;4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸;化合物BP-1-102,10 MM DMSO 溶液;BP-1-102(BP1-102) |CAS 1334493-07-0;化合物:BP-1-102 CAS:1334493-07-0;BP-1-102試劑 |
| 英文名稱 | BP-1-102 |
| 英文同義詞 | BP-1-102;4-(N-(4-Cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-methylphenylsulfonamido)acetamido)-2-hydr;STAT3 Inhibitor XVIII, BP-1-102;BP-1-102; BP1-102; BP 1-102.;4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-methylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid;STAT3 Inhibitor XVIII;STAT3 INHIBITOR XVIII;BP1-102;BP 1-102;Benzoic acid, 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-2-hydroxy- |
| CAS號(hào) | 1334493-07-0 |
| 分子式 | C29H27F5N2O6S |
| 分子量 | 626.59 |
| EINECS號(hào) | |
| 相關(guān)類別 | 細(xì)胞生物學(xué)試劑;API |
| Mol文件 | 1334493-07-0.mol |
| 結(jié)構(gòu)式 |  |
4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸 性質(zhì)
| 沸點(diǎn) | 749.2±70.0 °C(Predicted) |
|---|---|
| 密度 | 1.474±0.06 g/cm3(Predicted) |
| 儲(chǔ)存條件 | Inert atmosphere,Store in freezer, under -20°C |
| 溶解度 | DMSO:15.0(最大濃度 mg/mL);23.9(最大濃度 mM) |
| 形態(tài) | 結(jié)晶固體 |
| 酸度系數(shù)(pKa) | 3.15±0.10(Predicted) |
| 顏色 | 白色至米白色 |
| InChIKey | WNVSFFVDMUSXSX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(N(CC2=CC=C(C3CCCCC3)C=C2)C(CN(C)S(C2=C(F)C(F)=C(F)C(F)=C2F)(=O)=O)=O)C=C1O |
|
STAT3 6.8 μM (IC 50 ) |
BP-1-102 binds Stat3 with an affinity K D of 504 nM. BP-1-102 inhibits Stat3 DNA-binding activity in vitro , with an IC 50 value of 6.8±0.8 μM. It blocks Stat3-phospho-tyrosine peptide interactions and Stat3 activation at 4-6.8 μM, and selectively inhibits growth, survival, migration, and invasion of Stat3-dependent tumor cells. BP-1-102-mediated inhibition of aberrantly active Stat3 in tumor cells suppresses the expression of c-Myc, Cyclin D1, Bcl-xL, Survivin, VEGF, and Krüppel-like factor 8.
Mice therapeutically given BP-1-102, an orally bioavailable compound targeting STAT3/NF-kB activation and cross-talk, exhibit reduced colon tumorigenesis and diminished expression of STAT3/NF-kB-activating cytokines in the neoplastic areas. BP-1-102 is orally bioavailable and that the agent accumulates in tumor tissues at levels sufficient to inhibit aberrantly active Stat3 functions and inhibit tumor growth.
![Phenylmethyl 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-2-(phenylmethoxy)benzoate](/CAS/20210305/GIF/1334493-48-9.gif)
1334493-48-9
1334493-07-0
通用方法：將芐基保護(hù)的水楊酸（1當(dāng)量）溶于攪拌的甲醇/四氫呋喃（1:1，v/v，0.1M）混合溶劑中。在徹底脫氣后，謹(jǐn)慎加入10%鈀/碳催化劑（10mg/mmol）。向溶液中通入氫氣鼓泡5分鐘，隨后在氫氣氛圍下持續(xù)攪拌反應(yīng)3小時(shí)。反應(yīng)完成后，排除氫氣，通過過濾移除鈀催化劑，并在減壓條件下濃縮濾液。
參考文獻(xiàn)：
[1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 18, p. 5605 - 5609
[2] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 11, p. 1102 - 1107
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 18, p. 7190 - 7200
安全信息
| WGK Germany | WGK 2 |
|---|---|
| 存儲(chǔ)類別 | 11 - 可燃固體 |
| 更新日期 | 產(chǎn)品編號(hào) | 產(chǎn)品名稱 | CAS號(hào) | 包裝 | 價(jià)格 |
|---|---|---|---|---|---|
| 2026/06/05 | HY-100493 | 4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸 BP-1-102 | 1334493-07-0 | 5mg | 950元 |
| 2026/06/05 | HY-100493 | 4-(N-(4-環(huán)己基芐基)-2-((2,3,4,5,6-五氟-N-甲苯基)磺酰氨基)乙酰氨基)-2-羥基苯甲酸 BP-1-102 | 1334493-07-0 | 10mM * 1mLin DMSO | 1310元 |