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1568-80-5

中文名稱 3,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇
英文名稱 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 2025/07/14 16:34:11
1568-80-5 結(jié)構(gòu)式 1568-80-5 結(jié)構(gòu)式

基本信息

中文別名
螺雙茚滿
螺二茚滿
3,3,3',3'-四甲基螺環(huán)二酚
3,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇
3,3,3',3'-四甲基-2,2',3,3'-四氫-1,1'-螺二[茚滿]-6,6'-二醇
英文別名
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
所屬類別
生物化工:激動劑抑制劑

物理化學(xué)性質(zhì)

熔點213-214 °C
沸點478.5±45.0 °C(Predicted)
密度1.21±0.1 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度DMSO : 125 mg/mL (405.30 mM; Need ultrasonic)
酸度系數(shù)(pKa)9.98±0.60(Predicted)
形態(tài)Solid
顏色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 數(shù)據(jù)庫1568-80-5
EPA化學(xué)物質(zhì)信息
危險性符號(GHS)GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS07,GHS09,GHS08
警示詞危險
毒性rat,LD50,oral,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),International Journal of Toxicology. Vol. 19, Pg. 366, 2000.

制備方法

方法1
雙酚A

80-05-7

3,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇

1568-80-5

向反應(yīng)燒瓶中加入100g雙酚A和500mL甲磺酸,攪拌至完全溶解,形成暗紅色溶液。在室溫下持續(xù)攪拌反應(yīng)96小時。反應(yīng)完成后,將反應(yīng)液緩慢倒入600mL冰水中,冷卻至室溫后進行抽濾。收集的固體用去離子水充分洗滌。將洗滌后的固體在回流條件下溶于乙醇和50℃的熱水中。隨后,向溶液中滴加甲醇直至無固體析出,立即進行熱過濾。濾餅用熱水洗滌數(shù)次,最后將產(chǎn)物在適宜條件下干燥,得到近白色絮狀固體45g,即3,3,3',3'-四甲基-2,2',3,3'-四氫-1,1'-螺二[茚滿]-6,6'-二醇(MSPINOL),產(chǎn)率超過99%。

參考文獻:

[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

3,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇價格(試劑級)
報價日期產(chǎn)品編號產(chǎn)品名稱CAS號包裝價格
2025/05/22HY-1074853,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇
HIV-1 integrase inhibitor 8
1568-80-550mg300元
2025/05/22HY-1074853,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇
HIV-1 integrase inhibitor 8
1568-80-510 mM * 1 mLin DMSO330元
2025/05/22HY-1074853,3,3',3'-四甲基-1,1'-螺BI(茚滿)-6,6'-二醇
HIV-1 integrase inhibitor 8
1568-80-5100mg500元

常見問題列表

生物活性
HIV-1 integrase inhibitor 8 是 HIV-1 整合酶 (HIV-1 integrase) 抑制劑,化合物 8。
體外研究

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.

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