尼达尼布乙基磺酸盐

• 常用名: 尼达尼布乙基磺酸盐
• 英文名: Nintedanib Ethanesulfonate Salt
• CAS号: 656247-18-6
• 分子量: 649.757
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₃H₃₉N₅O₇S
• 熔点: N/A
• 闪点: N/A

尼达尼布乙基磺酸盐用途

Nintedanib esylate (BIBF 1120 esylate) 是一种有效的 VEGFR1/2/3,FGFR1/2/3 和 PDGFRα/β 三重抑制剂,IC50 值分别为 34 nM/13 nM/13 nM,69 nM/37 nM/108 nM 和 59 nM/65 nM。

尼达尼布乙基磺酸盐名称

• 中文名: (3Z)-2,3-二氢-3-[[[4-[甲基[2-(4-甲基-1-哌嗪基)乙酰]氨基]苯基]氨基]苯亚甲基]-2-氧代-1H-吲哚-6-甲酸甲酯乙磺酸盐
• 英文名: nintedanib esylate
• 中文别名: 尼达尼布乙基磺酸盐 | 乙磺酸尼达尼布 | 尼达尼布乙磺酸盐

尼达尼布乙基磺酸盐生物活性

• 描述: Nintedanib esylate (BIBF 1120 esylate) 是一种有效的 VEGFR1/2/3,FGFR1/2/3 和 PDGFRα/β 三重抑制剂,IC50 值分别为 34 nM/13 nM/13 nM,69 nM/37 nM/108 nM 和 59 nM/65 nM。
• 相关类别:
  信号通路 >> 蛋白酪氨酸激酶 >> FGFR
  信号通路 >> 蛋白酪氨酸激酶 >> PDGFR
  研究领域 >> 癌症
• 靶点实验:

  VEGFR1:34 nM (IC50)

  VEGFR2:13 nM (IC50)

  VEGFR3:13 nM (IC50)

  FGFR1:69 nM (IC50)

  FGFR2:37 nM (IC50)

  FGFR3:108 nM (IC50)

  PDGFRα:59 nM (IC50)

  PDGFRβ:65 nM (IC50)

• 体外研究: Nintedanib(BIBF 1120)与激酶结构域的氨基和羧基末端裂片之间的裂缝中的ATP结合位点结合。 Nintedanib(BIBF 1120)在细胞试验中抑制PDGF-BB刺激的BRP的增殖,EC50为79nM。在用5％血清加PDGF-BB刺激后,Nintedanib(BIBF 1120)(100nM)阻断MAPK的活化。 Nintedanib(BIBF 1120)可阻止PDGF-BB刺激增殖,在人血管平滑肌细胞(HUASMC)培养物中EC50为69 nM [1]。
• 体内研究: Nintedanib(BIBF 1120)(25-100mg/kg每日口服)在所有肿瘤模型中具有高活性,包括在裸鼠中生长的人肿瘤异种移植物和同系大鼠肿瘤模型。这在3天后肿瘤灌注的磁共振成像中显而易见,5天后血管密度和血管完整性降低,并且生长受到严重抑制[1]。 Nintedanib(BIBF 1120)可口服,在体内肿瘤模型中显示出令人鼓舞的功效,同时耐受性良好[2]。
• 动物实验: 使用5周龄至6周龄的无胸腺NMRI-nu / nu雌性小鼠（21-31g）进行测定。适应环境后，将小鼠用1至5×106（100μL）FaDu，Caki-1，SKOV-3，H460，HT-29或PAC-120细胞接种到动物的右侧腹部。适应环境后，将F344 Fischer大鼠用5×106（100μL）GS-9L细胞皮下注射到动物的右侧腹部。对于药代动力学分析，在小鼠眶后丛的指定时间点分离血液，并使用高效液相色谱 - 质谱法[1]分析血浆。
• 参考文献:

  [1]. Hilberg F, et al. BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res, 2008, 68(12), 4774-4782.

  [2]. Roth GJ, et al. Design, synthesis, and evaluation of indolinones as triple angiokinase inhibitors and the discovery of a highly specific 6-methoxycarbonyl-substituted indolinone (BIBF 1120). J Med Chem, 2009, 52(14), 4466-4480.

  [3]. Suzuki N, et al. Effect of a novel oral chemotherapeutic agent containing a combination of trifluridine, tipiracil and the novel triple angiokinase inhibitor nintedanib, on human colorectal cancer xenografts. Oncol Rep. 2016 Dec;36(6):3123-3130.

尼达尼布乙基磺酸盐物理化学性质

• 分子式: C₃₃H₃₉N₅O₇S
• 分子量: 649.757
• 精确质量: 649.257019
• PSA: 160.46000
• LogP: 4.62470
• 外观性状: 粉末
• 储存条件: -20℃

尼达尼布乙基磺酸盐靶点实验

查看更多实验

实验名称：Half life in Cynomolgus monkey at 5 mg/kg, iv 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412734

实验名称：Volume of distribution at steady state in Cynomolgus monkey at 40 mg/kg, po 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412731

实验名称：Oral bioavailability in Cynomolgus monkey at 40 mg/kg 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412732

实验名称：Mean residence time in Cynomolgus monkey at 5 mg/kg, iv 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412737

实验名称：Volume of distribution at steady state in Cynomolgus monkey at 5 mg/kg, iv 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412738

实验名称：AUC in Cynomolgus monkey at 5 mg/kg, iv 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412735

实验名称：Clearance in Cynomolgus monkey at 5 mg/kg, iv 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3412736

实验名称：AUC in Rhesus monkey at 40 mg/kg, po 来源：ChEMBL 靶标：Macaca mulatta External Id：CHEMBL3412741

实验名称：Clearance in Rhesus monkey at 40 mg/kg, po 来源：ChEMBL 靶标：Macaca mulatta External Id：CHEMBL3412905

实验名称：Half life in Rhesus monkey at 40 mg/kg, po 来源：ChEMBL 靶标：Macaca mulatta External Id：CHEMBL3412740

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尼达尼布乙基磺酸盐英文别名

• 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate salt
• 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-ethylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate
• UNII:42F62RTZ4G
• methyl (3S,5R)-3,5-di[(tert-butyldimethylsilyl)oxy]-1-hydroxy-cyclohexanecarboxylate
• nintedanib ethanesulfonate salt
• Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-pipe razinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indo linecarboxylate (1:1)
• Nintedanib ethanesulfonate
• (3S,5S)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-cyclohexanecarboxylic Acid Methyl Ester
• 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-, compd. with ethanesulfonic acid (1:1)
• methyl (3S,5S)-3,5-bis[tert-butyl(dimethyl)silyloxy]-1-hydroxy-cyclohexanecarboxylate
• 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate
• Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1)
• Vargatef
• 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulphonate
• Methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate
• methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate salt
• BIBF 1120 esylate
• BIBF 1120 (esylate)