中文名 | 卡泊三醇 |
英文名 | Calcipotriene |
别名 | 卡泊三烯 钙泊三醇 钙铂三醇 卡泊三醇 卡泊三醇杂质 钙泊三醇无水物 钙泊三醇,卡泊三醇 卡泊三醇, 钙泊三醇 9,10-开环胆甾-24-环丙基-5,7,10(19),22-四烯-1,3,24-三醇 (1Α,3Β,5Z,7E,22E,24S)-24-环丙基-9,10-闭联胆甾-5,7,10(19),22-四烯-1,3,24-三醇 (1a,3b,5z,7e,22e,24s)-24-环丙基-9,10-开环胆甾-5,7,10(19),22-四烯-1,3,24-三醇 |
英文别名 | mc903 dovonex Calcipotriol Calcipotriene 5z,7e,22e,24s)--bet Calcipotriol anhydrous CALCIPOTRIOL,CALCIPOTRIENE Calciptriol, MC-903, Daivonex, Dovonex, Psorcutan 9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol,24-cyclopropyl-,(1-alpha,3 (1S,3R,5Z,7E,22E)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (1S,3R,5Z,7E,14xi,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1α,3β,5Z,7E,22E,24S)- 24-CYCLOPROPYL-(1ALPHA,3BETA,5Z,7E,22E,24S)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL (1S,3R,5Z,7E,13xi,14xi,17xi,22E,24R)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(E,2S)-5-Cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
CAS | 112828-00-9 112965-21-6 |
EINECS | 601-218-4 |
化学式 | C27H40O3 |
分子量 | 412.6 |
InChI | InChI=1/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24?,25-,26+,27-/m1/s1 |
InChIKey | LWQQLNNNIPYSNX-HCHVWAPNSA-N |
密度 | 1.12±0.1 g/cm3(Predicted) |
熔点 | 166-168°C |
沸点 | 582.0±50.0 °C(Predicted) |
闪点 | 250.6°C |
蒸汽压 | 5.74E-16mmHg at 25°C |
溶解度 | DMSO: 可溶15mg/mL,澄清 |
折射率 | 1.579 |
酸度系数 | 14.29±0.20(Predicted) |
存储条件 | Desiccate at -20°C |
外观 | 粉末 |
物化性质 | 从甲酸甲酯中结晶,熔点166~168℃。UV最大吸收(96%乙醇):264nm(ε17200) |
MDL号 | MFCD10567086 |
体外研究 | When NHEK cells are not stimulated with IL-17A or IL-22, Calcipotriol slightly enhances (0.2 nM) IL-8 mRNA expression or has no effect (2-20 nM). The addition of IL-17A and IL-22 markedly increased the mRNA expression of IL-8, confirming our previous study. This enhanced IL-8 mRNA expression is suppressed by Calcipotriol at 2, 20 and 40 nM in a dose dependent manner. Treatment of natural killer (NK) cells with drugs modulates their expression of NK cytotoxicity receptors or KIR. Human NK cells are pre-treated with 100, 10 or 1 ng/mL of 1,25(OH) 2 D3 , Calcipotriol or FTY720 for 4 h. All three concentrations of 1,25(OH) 2 D3 , Calcipotriol and FTY720 significantly up-regulate the expression of NKp30 on the surface of NK cells after 4 h incubation. |
体内研究 | One out of the 32 animals in each of the groups has died, except for the Diclofenac plus DFMO plus Calcipotriol group, where all animals survived. Survival is equally distributed between the groups. The weight gain is significantly smaller in the groups treated with Diclofenac plus Calcipotriol (p=0.018) and Diclofenac plus DFMO plus Calcipotriol (p=0.002) compare with placebo (linear regression model). |
危险品标志 | Xi - 刺激性物品 |
风险术语 | 36/37/38 - 刺激眼睛、呼吸系统和皮肤。 |
安全术语 | 26 - 不慎与眼睛接触后,请立即用大量清水冲洗并征求医生意见。 |
危险品运输编号 | UN 2811 6.1 / PGIII |
WGK Germany | 3 |
海关编号 | 2906195000 |
上游原料 | 二氧化硒 液体二氧化硫 N-甲基吗啉-N-氧化物 四丁基氟化铵 硼氢化钠 三氯化铈 1,3-二-O-(叔-丁基二甲基硅烷基)卡泊三醇 5,6-反式-卡泊三醇 |
下游产品 | 24R-卡泊三醇 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.424 ml | 12.118 ml | 24.237 ml |
5 mM | 0.485 ml | 2.424 ml | 4.847 ml |
10 mM | 0.242 ml | 1.212 ml | 2.424 ml |
5 mM | 0.048 ml | 0.242 ml | 0.485 ml |
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