1568-80-5

中文名称 3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇

英文名称 SPIROBIINDANE

CAS 1568-80-5

分子式 C21H24O2

分子量 308.42

MOL 文件 1568-80-5.mol

更新日期 2025/11/06 17:15:49

1568-80-5 结构式

基本信息物理化学性质安全数据制备方法图谱信息 3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇价格(试剂级) 常见问题列表

基本信息

中文别名

螺双茚满
螺二茚满
3,3,3',3'-四甲基螺环二酚
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'-螺二[茚满]-6,6'-二醇

英文别名

3,3,3'
SPIROBIINDANE
-tetrahydro-1,1'
-tetramethyl-2,2'
-spirobi[indene]-6,6'
HIV-1 integrase inhibitor 8
3,3,3',3'-Tetramethyl-1,1'-spirobi[indan]-6,6'-diol
tetrahydrotetramethyl-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

所属类别

生物化工：激动剂抑制剂

物理化学性质

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-20°C储存

溶解度DMSO : 125 mg/mL (405.30 mM; Need ultrasonic)

酸度系数(pKa)9.98±0.60(Predicted)

形态Solid

颜色White to off-white

InChIInChI=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

InChIKeySICLLPHPVFCNTJ-UHFFFAOYSA-N

SMILESC12(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)

安全数据

危险性符号(GHS) GHS hazard pictograms

GHS07,GHS09,GHS08

警示词危险

危险性描述H315-H319-H410-H227-H372

防范说明P501-P273-P210-P264-P280-P302+P352-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

毒性rat,LD50,oral,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),International Journal of Toxicology. Vol. 19, Pg. 366, 2000.

制备方法

方法1

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

图谱信息

3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇(1568-80-5)核磁图(¹HNMR)

3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇价格(试剂级)

报价日期	产品编号	产品名称	CAS号	包装	价格
2025/05/22	HY-107485	3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇 HIV-1 integrase inhibitor 8	1568-80-5	50mg	300元
2025/05/22	HY-107485	3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇 HIV-1 integrase inhibitor 8	1568-80-5	10 mM * 1 mLin DMSO	330元
2025/05/22	HY-107485	3,3,3',3'-四甲基-1,1'-螺BI(茚满)-6,6'-二醇 HIV-1 integrase inhibitor 8	1568-80-5	100mg	500元

常见问题列表

生物活性

HIV-1 integrase inhibitor 8 是 HIV-1 整合酶 (HIV-1 integrase) 抑制剂，化合物 8。

体外研究

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.