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极化率（10\n-24\ncm\n3\n）：44.83",{"label":234,"labelZh":235,"value":236},"Computational Chemistry","计算化学","1.疏水参数计算参考值（XlogP）:4.1\n2.氢键供体数量:3\n3.氢键受体数量:7\n4.可旋转化学键数量:5\n5.互变异构体数量:6\n6.拓扑分子极性表面积92.4\n7.重原子数量:32\n8.表面电荷:0\n9.复杂度:646\n10.同位素原子数量:0\n11.确定原子立构中心数量:0\n12.不确定原子立构中心数量:0\n13.确定化学键立构中心数量:0\n14.不确定化学键立构中心数量:0\n15.共价键单元数量:1",null,[],[240,243,246,249,252,255,258,261,264],{"key":241,"value":242},"描述","Sorafenib (Bay 43-9006) 是有效的多激酶抑制剂,抑制Raf-1,B-Raf 和 VEGFR-3 的 IC50 分别为6 nM,20 nM,22 nM。",{"key":244,"value":245},"相关类别","信号通路\n>>\n自噬\n>>\n自噬\n信号通路\n>>\n蛋白酪氨酸激酶\n>>\nc-Kit\n信号通路\n>>\n蛋白酪氨酸激酶\n>>\nFLT3\n信号通路\n>>\n蛋白酪氨酸激酶\n>>\nPDGFR\n信号通路\n>>\nMAPK\u002FERK信号通路\n>>\n拉夫\n信号通路\n>>\n蛋白酪氨酸激酶\n>>\nVEGFR\n研究领域\n>>\n癌症",{"key":247,"value":248},"靶点","VEGFR3:20 nM (IC50)\nBraf:22 nM (IC50)\nRaf-1:6 nM (IC50)\nVEGFR2:90 nM (IC50)\nPDGFRβ:57 nM (IC50)\nBrafV599E:38 nM (IC50)\nc-Kit:68 nM (IC50)\nFlt3:58 nM (IC50)",{"key":250,"value":251},"体外研究","索拉非尼(BAY 43-9006)也抑制BRAFwt(IC50 = 22 nM),BRAFV599E(IC50 = 38 nM),VEGFR-2(IC50 = 90 nM),VEGFR-3(IC50 = 20 nM),PDGFR-β(IC50)在生化测定中,= 57nM),c-KIT(IC50 = 68nM)和Flt3(IC50 = 58nM)。在MDA-MB-231乳腺癌细胞中,索拉非尼完全阻断MAPK途径的活化。细胞与索拉非尼预孵育(0.01至3μM),并且基础MEK 1\u002F2和ERK 1\u002F2磷酸化的剂量依赖性抑制(分别为IC 50,40和100 nM)[1]。",{"key":253,"value":254},"体内研究","索拉非尼在人肿瘤异种移植模型组中表现出广泛的口服抗肿瘤功效。索拉非尼口服7.5至60毫克\u002F千克。相对于相应的对照组,在任何治疗组中没有致死性并且体重减轻没有增加。每日口服索拉非尼(30至60 mg\u002Fkg)可在治疗期间在六种模型中的五种中产生完全的肿瘤停滞[1]。二乙基亚硝胺(DENA)组的存活率为73.3％,索拉非尼组为83.3％,而正常对照组为100％。与正常对照组相比,DENA组显示肝脏指数显着增加(1.51倍增加,p \u003C0.05),而与DENA组相比,索拉非尼治疗显示肝脏指数显着降低(p \u003C0.05)。索拉非尼组的肝脏指数显着降低至低于正常对照组的值[2]。",{"key":256,"value":257},"激酶实验","为了测试化合物对各种RAF激酶同种型的抑制作用，将索拉非尼加入到Raf-1（80 ng），wt BRAF或V599E BRAF（80 ng）与MEK-1（1μg）在测定缓冲液[20 mM Tris]中的混合物中（pH 8.2），100mM NaCl，5mM MgCl 2和0.15％β-巯基乙醇]，终浓度为1％DMSO。通过添加25μL10μMγ-[33P] ATP（400Ci \u002F mol）引发RAF激酶测定（终体积50μL），并在32℃下孵育25分钟。通过过滤将磷酸化的MEK-1收获到磷酸纤维素垫上，并使用1％磷酸洗去未结合的放射性。通过微波加热干燥后，使用β板计数器来量化过滤器结合的放射性[1]。",{"key":259,"value":260},"细胞实验","将MDA-MB-231人乳腺癌细胞系以每孔2×10 5个细胞接种在DMEM生长培养基（10％热灭活的FCS）中的12孔组织培养板中过夜。用无血清培养基洗涤细胞一次，并在补充有0.1％不含脂肪酸的BSA的DMEM中孵育，所述BSA含有各种浓度的BAY 43-9006（0.01,0.03,0.1,0.3,1,3μM）在0.1％DMSO中的120分钟测量基础pMEK 1\u002F2，pERK 1\u002F2或pPKB的变化。用冷PBS（含有0.1mM钒酸盐的PBS）洗涤细胞，并在含有蛋白酶抑制剂的1％（v \u002F v）Triton X-100溶液中裂解。通过离心澄清裂解物，进行SDS-PAGE，转移至硝酸纤维素膜，在TBS-BSA中封闭，并用抗pMEK 1\u002F2（Ser217 \u002F Ser221; 1：1000），抗MEK 1\u002F2，抗探测。 -pERK 1\u002F2（Thr202 \u002F Tyr204; 1：1000），抗ERK1 \u002F 2，抗-pPKB（Ser473; 1：1000）或抗PKB一抗。用辣根过氧化物酶（HRP）偶联的二抗开发印迹，并用Amersham ECL试剂在Amersham Hyperfilm上开发[1]。",{"key":262,"value":263},"动物实验","小鼠[1]使用雌性NCr-nu \u002F nu小鼠。携带75至150mg肿瘤的小鼠用索拉非尼（7.5至60mg \u002F kg）口服治疗，每天施用9天。在每个模型中，索拉非尼产生剂量依赖性肿瘤生长抑制，没有毒性迹象，通过相对于对照动物增加的体重减轻或药物相关致死率来测量。与抗肿瘤效力研究平行，另外一组4只带有100至200mg肿瘤的小鼠用载体或索拉非尼（30至60mg \u002F kg）口服治疗，每天给药5天，这是产生完整肿瘤的最短治疗持续时间。治疗组停滞。大鼠[2]在该研究中，使用100至120g雄性白化病大鼠。在适应期后，将大鼠称重并随机分成三组：第1组（正常对照组; n = 10）每天给予载体8周。第2组（DENA组; n = 15）接受ip单剂量的200mg \u002F kg DENA。第3组（索拉非尼组; n = 12）在DENA ip注射后6周，以10mg \u002F kg的剂量口服给予索拉非尼，持续2周。在实验结束时（8周），将大鼠称重，用乙醚麻醉并杀死，解剖它们的肝脏。将新鲜肝脏用冰冷的盐水洗涤两次，用干净的纸巾擦干，并称重。肝脏指数计算为肝脏重量（g）\u002F最终体重（g）×100。将肝脏分成五部分：一部分保存在10％福尔马林中用于组织病理学检查，另一部分立即在液氮中冷冻并储存在-80℃。",{"key":265,"value":266},"参考文献","[1].\nWilhelm SM, et al. BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF\u002FMEK\u002FERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.\n[2].\nEl-Ashmawy NE, et al. Sorafenib effect on liver neoplastic changes in rats: more than a kinase inhibitor. Clin Exp Med. 2016 Apr 16.\n[3].\nJin W, et al. Long non-coding RNA TUC338 is functionally involved in sorafenib-sensitized hepatocarcinoma cells by targeting RASAL1. Oncol Rep. 2017 Jan;37(1):273-280.\n[4].\nLi M, et al. Activation of an AKT\u002FFOXM1\u002FSTMN1 pathway drives resistance to tyrosine kinase inhibitors in lung cancer. 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