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10mg\u002Fkg剂量在血浆中产生3.22μM的峰值水平。给予单个黑猩猩的10mg\u002Fkg口服剂量分别在给药后2,8和24小时给予血浆中4.12,2.95和2.69μM的浓度[1]。",{"key":274,"value":275},"激酶实验","表达，纯化重组RT酶，并评估Efavirenz（L-743726）的抑制作用。测定每种测试酶的Ki和Kii值。野生型RT仅显示非竞争性抑制动力学（数据未显示），因此Ki和Kii值相同。对于突变酶，不假设纯的非竞争性抑制，因此Ki和Kii的值都是从线性混合型抑制方程获得的。 Ki和Kii值之间的两到三倍差异可能反映了突变体RTs的竞争性抑制的一小部分[1]。",{"key":277,"value":278},"动物实验","小鼠[1]研究在大鼠，恒河猴和单只黑猩猩中进行。对于静脉内给予大鼠的药物的分析（iv），一组（n = 4或5）禁食的雄性Sprague-Dawley大鼠（体重250至450g）接受推注（体积为1mL \u002F kg体重）通过植入右颈静脉的套管将Efavirenz在DMSO中的重量）。对于口服研究，通过使用在0.5％甲基纤维素水溶液中制备的依法韦仑的悬浮液通过管饲法给予大鼠。类似地，四只猴子通过隐静脉以0.1mL \u002F kg的体积接受化合物在DMSO中的静脉推注，或者通过使用鼻胃管以悬浮液的形式口服施用化合物。在给药前，猴子禁食18小时。通过使用化合物的水悬浮液通过自愿摄取口服给药一只非麻醉的，非禁食的雄性黑猩猩（体重，约60kg）。在所有研究中，在适当的时间获得肝素化血液。通过离心立即分离血浆并储存在-20℃直至分析。血浆样品用二氯甲烷萃取;然后通过高效液相色谱分析。",{"key":280,"value":281},"参考文献","[1].\nYoung SD, et al. L-743, 726 (DMP-266): a novel, highly potent nonnucleoside inhibitor of the human immunodeficiency virus type 1 reverse transcriptase. Antimicrob Agents Chemother. 1995 Dec;39(12):2602-5.\n[2].\nHeld DM, et al. Differential susceptibility of HIV-1 reverse transcriptase to inhibition by RNA aptamers in enzymatic reactions monitoring specific steps during genome replication. J Biol Chem. 2006 Sep 1;281(35):25712-22.\n[3].\nGrobler JA, et al. HIV-1 reverse transcriptase plus-strand initiation exhibits preferential sensitivity to non-nucleoside reverse transcriptase inhibitors in vitro. 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HI: all (not BR)",{"key":343,"value":344},"RTECS号","DM3440000",{"key":316,"value":317},"\u003Cp>1.对氯苯胺溶于氯仿和饱和碳酸钠水溶液，滴加2,2-二甲基丙酰氯。加毕，在室温搅拌，过滤收集固体，滤液分层，分出的氯仿层用盐水洗，干燥，浓缩。浓缩得到的物质和上述得到的固体一起用煮沸的乙酸乙酯己烷重结晶，得N-2,2-二甲基丙酰基对氯苯胺。将该酰化物溶于四氢呋喃，滴加正丁基锂的己烷溶液，搅拌，再滴加三氟乙酸乙酯，加入盐酸和乙酸乙酯，分出有机层，用盐水洗涤，干燥，减压浓缩，得到的物质在盐酸中回流，冷却，加入乙酸乙酯，用浓氨水调至碱性。分出有机层，用盐水洗涤，干燥，浓缩，得到2-三氟乙酰基-4-氯苯胺。将环丙基乙炔溶于四氢呋喃，滴加乙基溴化镁的乙醚溶液进行反应，完毕后，加入2-三氟乙酰基-4-氯苯胺，再滴加饱和的氯化铵水溶液。用乙酸乙酯萃取，萃取液合并后用盐水洗，干燥，浓缩，得烷化产物。将其和羰基二咪唑溶于无水四氢呋喃。然后减压蒸出溶剂，加入乙酸乙酯和水。水层用乙酸乙酯萃取。萃取液和有机层合并，用盐酸、饱和碳酸氢钠和盐水洗涤，经干燥、减压浓缩，得到消旋的依非韦仑。将其和(－)樟脑酰氯在二氯甲烷反应，然后在正丁醇中，加入盐酸反应，拆分得光学活性的依非韦仑。\u003Cbr \u002F>\u003Cbr \u002F>2.\u003C\u002Fp>\u003Cp>合成文献较多，见文献[6-12].推荐文献[6,7]的路线和方法\u003C\u002Fp>\u003Cp>（1）N-（4-氯苯基）-2，2-二甲基丙酰胺（041-2）的制备\u003C\u002Fp>\u003Cp>在反应瓶中加入对氯苯胺（041-4）127.57g(1mol)、氯仿1200ml和饱和的Na2CO3水溶液1200ml,搅拌混合,于1h内滴加2,2-二甲基丙酰氯129ml(1.05mol),滴加过程中应剧烈搅拌,滴毕,反应混合物于环境温度下继续搅拌反应23h.析出白色晶体过滤收集,滤液转至分液漏,分取有机层(氯仿层),依次用水和盐水洗涤,无水MgSO4干燥,过滤,滤液减压蒸除溶剂,剩余物与上述过滤出的固体合并,用煮沸的乙酸乙酯\u002F己烷重结晶,得化合物041-2 185.6g,收率87.8%,\u003C\u002Fp>\u003Cp>该化合物为白色结晶性固体.\u003C\u002Fp>\u003Cp>(2).1-(2-氨基-5-氯苯基)-2，2，2-三氟乙酮（041-3）的制备\u003C\u002Fp>\u003Cp>往预先干燥好的反应瓶中加入上步制备的化合物041-2 100g(472mmol)和干燥的THF 1000ml,于搅拌下用冰浴冷却至0 ºC,于该温度下滴加正丁基锂的己烷溶液(2.5mol\u002FL)387ml(968mmol),滴加过程中保持内温低于5 ºC,1h内滴加毕,在0 ºC拌反应1h.在保持反应过程中,反应液中产生橙色沉淀.向该混合物中再滴加1,1,1-三氟乙酸乙酯115ml(968mmol),于1h加完,加毕,继续搅拌30min.加入5%盐酸适量终止反应.反应混合物中加入乙酸乙酯1000ml释,搅拌充分后静置分层.分取有机层用盐水洗涤,无水MgSO4干燥,过滤,滤液减压浓缩,得160g黄色油状物.将其悬浮于3mol\u002FL盐酸1000ml中.溶液搅拌回流24h.冷却,加入乙酸乙酯1000ml稀释,混合物用浓氨水调至PH呈碱性.静置分层,取有机层用盐水洗涤,无水MgSO4干燥,过滤,滤液减压浓缩,浓缩液经硅胶柱(1.5kg硅胶)色谱分离(洗脱剂:15%乙酸乙酯的己烷溶液),含目的物的洗脱液减压浓缩至干,得到的固体用煮沸的己烷重结晶,得化合物041-3 57g,率54%,为亮黄色晶体,mp91~92 ºC(纯品)。\u003C\u002Fp>\u003Cp>（3）。2-（2-氨基-5-氯苯基）-4-环丙基-1，1，1-三氟-3-丁炔-2-醇（041-5）的制备\u003C\u002Fp>\u003Cp>在反应瓶中加入THF 250ml和环丙基乙炔(041-4)23g(0.348mol),搅拌溶解,于1h内搅拌下\u003C\u002Fp>\u003Cp>滴加3mol\u002FL乙基溴化镁的乙醚溶液116ml(0.348mol).加毕,于0 ºC 拌反应1h.然后在40 ºC 搅拌反应3h.将反应液再冷却至0 ºC ,在5min内往该反应液中分批加入上步制备的化合物041-3 15.56g(0.0696mol),加毕,在0 ºC 拌反应1.5h.再在0 ºC 滴加饱和的氯化铵水溶液700ml终止反应.反应混合物用乙酸乙酯(400ml*2)提取,合并有机相,用盐水洗涤,无水MgSO4干燥,过\u003C\u002Fp>\u003Cp>滤,滤液经浓缩得到黄色固体,用煮沸的己烷重结晶(沸己烷最终体积100ml),得14.67g,母液浓缩处理可回收041-5 2.1g,合计得041-5 16.77g,mp153~154 ºC .\u003C\u002Fp>\u003Cp>(4).(+-)-6-氯-4-环丙基乙炔基-4-三氟甲基-1，4-二氢-2H-3，1-苯并嗪-2-酮（041-6）的制备\u003C\u002Fp>\u003Cp>在反应瓶中加入上步制备的化合物041-5 15.00g(0.0518mol)和1,1’-羰基二咪唑(CDD)41.98g(0.259mol)的干燥的THF250ml溶液,在氩气保护下于55 ºC 搅拌反应0C;$利用旋转蒸发器将反应液中溶剂减压蒸除,剩余物加入乙酸乙酯500ml和水400ml,分搅拌后静置分层.水层用乙酸乙酯再提取一次,合并提取液和有机层,用2%盐酸(200ml*2)洗涤,饱和碳酸氢钠水溶液洗涤,最后用盐水洗涤.无水硫酸镁干燥,过滤,滤液减压浓缩回收溶剂,得到剩余物16.42g,固体,将其用乙酸乙酯\u002F己烷重结晶得041-6 12.97g品,为白色结晶,mp178~180 ºC .\u003C\u002Fp>\u003Cp>(5)6-氯-1-(1S)-樟脑酰基-4-环丙基乙炔基-4-三氟甲基-1,4-二氢-2H-3,1-苯并嗪-2-酮(041-7)的\u003C\u002Fp>\u003Cp>制备\u003C\u002Fp>\u003Cp>在反应瓶中加入上步制备的化合物041-6 (即消旋的Efavirenz)12.97g(0.041mol)、4-二甲基氨基吡啶（DMAP）1.02g（0.0083mol）和(-)樟脑酰氯[(-)-camphanic acid chloride]14.22g(0.06556mol)的干燥二氯甲烷350ml溶液,搅拌,在冰浴冷却下和氩气保护下加入三乙胺22.84ml(0.164mol).移去冰浴,自然升至室温,搅拌反应75min(TLC跟踪,用4%的乙酸乙酯的氯仿溶液作展开剂,点样展开,原料斑点消失,反应则基本完成).将反应液用氯仿500ml稀释,然后用10%的柠檬酸洗涤2次,用水洗1次,盐水洗1次.无水MgSO4干燥,过滤,滤液减压浓缩回收溶剂,剩余物为无色泡沫状物,加入己烷200ml煮沸并研碎,冷却至室温,过滤,滤饼用少量冷己烷洗涤,抽干,真空干燥,得041-7 7.79g,白色晶体,mp164~165 ºC纯度99.2%(HPLC法)\u003C\u002Fp>\u003Cp>（6）。（4S）-6-氯-4-（环丙基乙炔基）-1，4-二氢-4-（三氟甲基）-2H-3，1-苯并嗪-2-酮（艾法韦瑞）（041）的合成\u003C\u002Fp>\u003Cp>在反应瓶中加入上步制备的化合物041-7 7.5g(0.01512mol)和正丁醇150ml,在氩气保护下升温至60ºC搅拌溶解,再加入1mol\u002FL盐酸10ml,仍保持反应混合物在60ºC,搅拌反应72h.用NaHCO3水溶液中和,真空蒸除正丁醇.剩余物用THF150ml溶解,加入2mol\u002FL氢氧化锂(LiOH)50ml,于室温搅拌3h.用乙酸乙酯稀释,搅拌充分后用水洗2次,用盐水洗涤1次,无水MgSO4干燥,过滤,滤液减压蒸除溶剂,得白色固体,将其用热己烷重结晶,得041 3.43g,为白色晶体,mp131~132ºC\u003C\u002Fp>\u003Cp>\u003C\u002Fp>","2026-08-21T07:51:12.859463Z",false,[350,356,362,368,374,380,386,392,398,404,410,416],{"slug":351,"cid":352,"name":353,"nameZh":354,"cas":355},"785882530409615360","J-1955871-5","Febuxostat","非布索坦","144060-53-7",{"slug":357,"cid":358,"name":359,"nameZh":360,"cas":361},"785892364030840832","J-1381949-3","Alcloxa","铝克洛沙","1317-25-5",{"slug":363,"cid":364,"name":365,"nameZh":366,"cas":367},"785893129814282240","J-1962350-8","Phytosphingosine","糖脂","554-62-1",{"slug":369,"cid":370,"name":371,"nameZh":372,"cas":373},"785875984183201792","J-11597-9","Aflatoxin B1","黄曲霉毒素B1","1162-65-8",{"slug":375,"cid":376,"name":377,"nameZh":378,"cas":379},"785898371956084736","J-50383-3","alpha-Amylase","α-淀粉酶","9000-90-2",{"slug":381,"cid":382,"name":383,"nameZh":384,"cas":385},"785882574428835840","J-1094601-7","Methylene Blue","亚甲基蓝","61-73-4",{"slug":387,"cid":388,"name":389,"nameZh":390,"cas":391},"785884688790065152","J-1109893-4","Alizarin yellow GG","茜素黄GG","584-42-9",{"slug":393,"cid":394,"name":395,"nameZh":396,"cas":397},"847438775779856384","J-1134038-8","1,5-dimethyl-4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenylpyrazol-3-one","水杨醛缩4-氨基安替比林","30957-66-5",{"slug":399,"cid":400,"name":401,"nameZh":402,"cas":403},"785882574307201024","J-4791-6","Azure B","天青B","531-55-5",{"slug":405,"cid":406,"name":407,"nameZh":408,"cas":409},"785893849745592320","J-1353796-7","Calcein Blue","钙黄绿素蓝","54375-47-2",{"slug":411,"cid":412,"name":413,"nameZh":414,"cas":415},"785894729387610112","J-1504350-2","10-(2-(Diethylamino)propanoyl)phenothiazine","10-(α-二乙氨基丙酰基)吩噻嗪","13012-66-3",{"slug":417,"cid":418,"name":419,"nameZh":420,"cas":421},"785893706199732224","J-1114778-7","Methyl Orange","甲基橙","547-58-0",1794255561450,"zh-CN",[]]