| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| D420466-1ml |
1ml |
现货  |
|
| 别名 | (4R,12aS)-9-[(2,4-二氟苯基)甲基氨基甲酰基]-4-甲基-6,8-二氧代-3,4,12,12a-四氢-2H-吡啶基[5,6]吡嗪并[2,6-b][1,3]恶嗪-7-油酸钠盐 | 多替拉韦钠 |
|---|---|
| 英文别名 | DOLUTEGRAVIR SODIUM SALT [MI] | Dolutegravir (sodium) | DOLUTEGRAVIR SODIUM COMPONENT OF TRIUMEQ | Dolutegravir sodium salt | Dolutegravir sodium [USAN] | DOLUTEGRAVIR SODIUM COMPONENT OF JULUCA | TIVICAY PD | Tivicay (TN) | HY-13238A | SODIUM (4R,12AS)-9 |
| 规格或纯度 | 2mM in DMSO |
| 英文名称 | Dolutegravir Sodium |
| 生化机理 | Dolutegravir Sodium是一种HIV-1整合酶抑制剂，IC 50为2.7nM。对感染细胞中的总病毒DNA合成没有影响，但会阻止病毒DNA整合到宿主DNA中。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 人体免疫缺陷病毒 1 型整合酶抑制剂 |
| 产品介绍 |
Integrase inhibitors are a new class of antiretroviral drugs blocking the action of HIV integrase, which catalyses several key steps in the life cycle of the virus and is essential for insertion of the viral genome into the host cell DNA. GSK1349572 is a next-generation HIV integrase (IN) inhibitor. In vitro: GSK1349572 is a two-metal-binding HIV integrase strand transfer inhibitor whose mechanism of action was established through resistance passage experiments, integrase enzyme assays, mechanistic cellular assays and activity against viral strains resistant to other classes of anti-HIV agents. In a variety of cellular antiviral assays, GSK1349572 inhibited HIV replication with subnanomolar or low-nanomolar potency and with a selectivity index of 9,400. The protein-adjusted half-maximal effective concentration extrapolated to 100% human serum was 38 nM . In vivo: No animial in vivo data are available for GSK1349572 so far. Clinical trial: GSK1349572 was effective when given once daily without a pharmacokinetic booster and was well tolerated at all assessed doses. These findings support the assessment of once daily 50 mg GSK1349572 in phase 3 trials. |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | sodium;(3S,7R)-13-[(2,4-difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-olate |
| INCHI | 1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1 |
| InChi Key | UGWJRRXTMKRYNK-VSLILLSYSA-M |
| Smiles | CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+] |
| Isomeric SMILES | C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+] |
| 分子量 | 441.36 |
| Reaxy-Rn | 45353610 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45353610&ln= |
| 分子量 | 441.400 g/mol |
|---|---|
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 441.111 Da |
| 单同位素质量Monoisotopic Mass | 441.111 Da |
| 拓扑极表面积Topological Polar Surface Area | 102.000 Ų |
| 重原子数Heavy Atom Count | 31 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 836.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 2 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 2 |
| 象形图 | GHS09 |
|---|---|
| 信号词 | 警告 |
| 危险声明 |
H400: 对水生生物有剧毒 H410: 对水生生物有剧毒并具有长期持续影响 |
| 预防措施声明 |
P273: 避免释放到环境中。 P391: 收集溢出物 P501: 将内容物/容器处理到。。。 |
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