3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇
| 中文名称 | 3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇 |
|---|---|
| 中文同义词 | 螺二茚满;3,3,3',3'-四甲基螺环二酚;3,3,3',3'-四甲基-2,2',3,3'-四氢-1,1'-螺二[茚满]-6,6'-二醇;螺双茚满;3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇;3,3,3',3'-四甲基-2,2',3,3'-四氢-1,1'-螺联[茚]-6,6'-二醇;3,3,3,3-四甲基-2,2,3,3-四氢-1,1-螺双[茚]-6,6-二醇;6,6′-二羟基-3,3,3′,3′-四甲基-1,1′-螺双茚 |
| 英文名称 | SPIROBIINDANE |
| 英文同义词 | SPIROBIINDANE;2,2'',3,3''-TETRAHYDRO-3,3,3'',3''-TETRAMETHYL-1,1''-SPIROBI-1H-INDENE- 6,6''-DIOL;tetrahydrotetramethyl-1,1'-spirobi-1H-indene-6,6'-diol;3,3,3',3'-Tetramethyl-1,1'-spirobi[indan]-6,6'-diol;3,3,3',3'-Tetramethyl-2,2',3,3'-tetrahydro[1,1'-spirobi[1H-indene]]-6,6'-diol;3,3,3',3'-Tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-indene]-6,6'-diol;6,6'-Dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan;6,6'-Dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindane |
| CAS号 | 1568-80-5 |
| 分子式 | C21H24O2 |
| 分子量 | 308.41 |
| EINECS号 | |
| 相关类别 | 醇;化学试剂 |
| Mol文件 | 1568-80-5.mol |
| 结构式 |  |
3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇 性质
| 熔点 | 213-214 °C |
|---|---|
| 沸点 | 478.5±45.0 °C(Predicted) |
| 密度 | 1.21±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | DMSO：125 mg/mL（405.30 mM；需要超声波） |
| 酸度系数(pKa) | 9.98±0.60(Predicted) |
| 形态 | 固体 |
| 颜色 | 白色至米白色 |
| Henry's Law Constant | 1.5×106 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3 |
| InChIKey | SICLLPHPVFCNTJ-UHFFFAOYSA-N |
| SMILES | C12(C3=C(C=CC(O)=C3)C(C)(C)C1)C1=C(C=CC(O)=C1)C(C)(C)C2 |
| CAS 数据库 | 1568-80-5 |
| EPA化学物质信息 | 1,1'-Spirobi[1H-indene]-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- (1568-80-5) |
HIV-1 integrase inhibitor 8 is against 3′-processing (TC) and strand-transfer (ST) activities in the presence of Mn 2+ as the cationic cofactor by gel assay with IC 50 values of 275 µM and 200 µM, respectively. It inhibits the strand-transfer (ST) activity with an IC 50 value of 200 µM.The DNA relaxation activity of MCV topoisomerase is monitored by gel electrophoresis, while DNA cleavage and religation activities were monitored using a microtiter assay. HIV-1 integrase inhibitor 8 inhibits MCV topoisomerase and DNA religation with IC 50 values of 500 µM and 200 µM, respectively. This result demonstrates that compound 8 is inactive against topoisomerase in both assays. HIV-1 integrase inhibitor 8 induces cell cytotoxicity and yields a LD 50 (dose at which the signal is reduced 50% due to cell death) of 20 μM in HeLa cells.
80-05-7
1568-80-5
向反应烧瓶中加入100g双酚A和500mL甲磺酸，搅拌至完全溶解，形成暗红色溶液。在室温下持续搅拌反应96小时。反应完成后，将反应液缓慢倒入600mL冰水中，冷却至室温后进行抽滤。收集的固体用去离子水充分洗涤。将洗涤后的固体在回流条件下溶于乙醇和50℃的热水中。随后，向溶液中滴加甲醇直至无固体析出，立即进行热过滤。滤饼用热水洗涤数次，最后将产物在适宜条件下干燥，得到近白色絮状固体45g，即3,3,3',3'-四甲基-2,2',3,3'-四氢-1,1'-螺二[茚满]-6,6'-二醇（MSPINOL），产率超过99%。
参考文献：
[1] Patent: CN108659041, 2018, A. Location in patent: Paragraph 0056; 0057; 0058; 0059
[2] Organic Letters, 2004, vol. 6, # 14, p. 2341 - 2343
[3] Patent: JP6167868, 2017, B2. Location in patent: Paragraph 0285; 0286; 0292; 0300; 0312; 0317; 0322; 0330
[4] Patent: WO2005/61425, 2005, A1. Location in patent: Page/Page column 18
[5] Patent: US2006/20150, 2006, A1. Location in patent: Page/Page column 5
安全信息
| TSCA | TSCA listed |
|---|---|
| 毒性 | rat,LD50,oral,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),International Journal of Toxicology. Vol. 19, Pg. 366, 2000. |