CAS: 13504-15-9; 17α,21-Dihydroxy-16β-Methylpregna-1,4,9(11)-Triene-3,20-Dione

该化合物是一种合成类固醇,具有核质固醇特性,具有多类氢氧基,有助于其生物活动,特别是在调节炎度和免疫反应方面;16个组的出现和具体配置对于其药理效应意义重大;该化合物经常被研究其潜在的治疗用途,包括抗炎和免疫抑制作用;其结构与天然类固醇相比的改变可能会影响其药力,作用持续时间和副作用;与许多类固醇一样,在评估其在临床环境中的使用时必须考虑其溶解性,稳定性和代谢途径;

英文名称17α,21-Dihydroxy-16β-Methylpregna-1,4,9(11)-Triene-3,20-Dione
中文名称(16β)-17,21-二羟基-16-甲基孕甾-1,4,9(11)-三烯-3,20-二酮
IUPAC名称(8S,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
其它别名Pregna-1,4,9(11)-triene-3,20-dione,17,21-dihydroxy-16b-methyl- (7CI,8CI)
CAS编号13504-15-9
MFCD编号:MFCD18452754
EINECS号:236-830-7
FDA UNII编号:EIU1L09AID
分子式:C22H28O4分子量:356.46
产品CID: 533720
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: ZYTXTXAMMDTYDQ-AKXKBWEISA-N
1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18-,20-,21-,22-/m0/s1
计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数2.0

物理性质

熔点209-212 °C(溶剂: acetone (67-64-1); hexane (110-54-3))
沸点548.3±50.0 °C(预测)
闪点299.4 °C
密度1.24±0.1 g/cm3(预测)
pKa:12.53±0.70(预测)
PSA:74.6
LogP:2.7529
折射率1.603
溶解性Acetone (Slightly), Chloroform (Slightly)
外观形态白色至类白色固体
产品应用该化合物用于分析研究,以确定从逆相阶段高性性液相色谱仪(RP-HPLC)到将异丙胺酮和其他相关化合物的低水平与乙胺酮(一种活性药物成分)分开的稳定性.

MSDS等安全信息

警示词warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

上下游产品

2-((10S,13S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-°Ctahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate 2-((10S,13S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

合成工艺路线路线简述

📜(16Beta)-17-羟基-16-甲基-3,20-二氧代孕甾烷-1,4,9(11)-三烯-21-基苯甲酸酯反应生成(16Beta)-17,21-二羟基-16-甲基孕甾-1,4,9(11)-三烯-3,20-二酮
参考文献:Ayer,D. E.;Schlagel,C. A.
标题:Ayer,D. E.;Schlagel,C. A.