TMC647055结构式
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常用名 | TMC647055 | 英文名 | TMC647055 |
|---|---|---|---|---|
| CAS号 | 1204416-97-6 | 分子量 | 606.73 | |
| 密度 | 1.4±0.1 g/cm3 | 沸点 | N/A | |
| 分子式 | C32H38N4O6S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
TMC647055用途TMC647055 是一种有效的 HCV 复制的非核苷 NS5B 聚合酶抑制剂。TMC647055 具有较强的 HCV 结合活性,其 IC50 值为 82 nM。TMC647055 可用于丙型肝炎病毒 (HCV) 的研究。 |
| 英文名 | 2,19-methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione |
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| 英文别名 | 更多 |
| 描述 | TMC647055 是一种有效的 HCV 复制的非核苷 NS5B 聚合酶抑制剂。TMC647055 具有较强的 HCV 结合活性,其 IC50 值为 82 nM。TMC647055 可用于丙型肝炎病毒 (HCV) 的研究。 |
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| 相关类别 | |
| 靶点 |
EC90: 0.3 μM (Huh7-Luc cell)[1]. EC50: 82 nM (HCV)[2] |
| 体外研究 | TMC647055在Huh7-Luc细胞中具有抗病毒活性,EC90值为0.3μM[1]。TMC647055在细胞HCV测定中具有强大的联合活性,EC50值为82 nM[2]。 |
| 体内研究 | TMC647055(化合物18a)(2 mg/kg,iv.；10mg/kg,po.)显示出可接受的PK特征,其特征是单次口服给药10 mg/kg后具有高的口服生物利用度和高的全身暴露,同时具有中等的血浆清除率和低的分布体积[2]。动物模型：大鼠[2]剂量：2 mg/kg；10mg/kg给药：2mg/kg,iv。；10mg/kg,口服。；单一结果：Cl号(L/h/kg)Cmax(ng/mL)[肝](ng/mL)L/P F(%)TMC647055(化合物18a)3.2 440 7800 46＞66 |
| 参考文献 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 分子式 | C32H38N4O6S |
| 分子量 | 606.73 |
| 精确质量 | 606.251221 |
| PSA | 122.05000 |
| LogP | 3.77 |
| 折射率 | 1.669 |
|
~77%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Nyanguile, Origene; Simmen, Kenny; Van Remoortere, Pieter; Raboisson, Pierre; Vendeville, Sandrine Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1880 - 1892 |
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~%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre; Vendeville, Sandrine Angewandte Chemie - International Edition, 2012 , vol. 51, # 19 p. 4637 - 4640 |
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~%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre; Vendeville, Sandrine Angewandte Chemie - International Edition, 2012 , vol. 51, # 19 p. 4637 - 4640 |
|
~%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre; Vendeville, Sandrine Angewandte Chemie - International Edition, 2012 , vol. 51, # 19 p. 4637 - 4640 |
|
~%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre; Vendeville, Sandrine Angewandte Chemie - International Edition, 2012 , vol. 51, # 19 p. 4637 - 4640 |
|
~%
TMC647055 1204416-97-6 |
| 文献：Cummings, Maxwell D.; Lin, Tse-I; Hu, Lili; Tahri, Abdellah; McGowan, David; Amssoms, Katie; Last, Stefaan; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre; Vendeville, Sandrine Angewandte Chemie - International Edition, 2012 , vol. 51, # 19 p. 4637 - 4640 |
|
~%
TMC647055 1204416-97-6 |
| 文献：Vendeville, Sandrine; Lin, Tse-I.; Hu, Lili; Tahri, Abdellah; McGowan, David; Cummings, Maxwell D.; Amssoms, Katie; Canard, Maxime; Last, Stefaan; Van Den Steen, Iris; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 13 p. 4437 - 4443 |
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~%
TMC647055 1204416-97-6 |
| 文献：Vendeville, Sandrine; Lin, Tse-I.; Hu, Lili; Tahri, Abdellah; McGowan, David; Cummings, Maxwell D.; Amssoms, Katie; Canard, Maxime; Last, Stefaan; Van Den Steen, Iris; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 13 p. 4437 - 4443 |
|
~%
TMC647055 1204416-97-6 |
| 文献：Vendeville, Sandrine; Lin, Tse-I.; Hu, Lili; Tahri, Abdellah; McGowan, David; Cummings, Maxwell D.; Amssoms, Katie; Canard, Maxime; Last, Stefaan; Van Den Steen, Iris; Devogelaere, Benoit; Rouan, Marie-Claude; Vijgen, Leen; Berke, Jan Martin; Dehertogh, Pascale; Fransen, Els; Cleiren, Erna; Van Der Helm, Liesbet; Fanning, Gregory; Van Emelen, Kristof; Nyanguile, Origene; Simmen, Kenny; Raboisson, Pierre Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 13 p. 4437 - 4443 |
| TMC647055上游产品 8 | |
|---|---|
| TMC647055下游产品 0 | |
| 10,10-dioxide |
| 28-Cyclohexyl-22-methoxy-10,16-dimethyl-13-oxa-9-thia-1,8,10,16-tetraazapentacyclo[16.8.1.1.1.0]nonacosa-2(29),3,5,18,20,22,24,26(28)-octaene-7,17-dione 9,9-dioxide |
| UNII-11BD024G7J |
| 10,6-(Methanoiminothioiminoethanooxyethanoiminomethano)-7H-indolo[2,1-a][2]benzazepine-14,24-dione, 13-cyclohexyl-3-methoxy-17,23-dimethyl-, 16,16-dioxide |
| TMC647055 |
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