CAS: 516-41-6; (5α,11β)-11,17,21-Trihydroxypregnane-3,20-Dione

该化合物是一种类固醇激素,是一种皮质醇的衍生物,其特征是类固醇的衍生物,其具体特征是类固醇结构A环的双联体减少,是一种生物活性化合物,在各种生理过程中发挥作用,包括新陈代谢,免疫反应和应激反应的调节.该化合物以其抗氟特性著称,并涉及碳水化合物,蛋白质和脂肪的代谢.就其化学结构而言,5-二氢质醇在C11位置上具有氢氧基质组,这对于其生物活动至关重要.该物质一般见于肾上皮质化合物,可通过酶分泌酶分解而合成.其药理学效应类似于聚物,但在各种生物环境中,该化合物可能表现出不同强度和功效.由于其激素性质,5-二氢质质质素在临床和研究环境中都有兴趣,特别是在与肾脏和功能有关的研究中.

英文名称(5α,11β)-11,17,21-Trihydroxypregnane-3,20-Dione
中文名称11-β,17-α,21-三羟基-5-α-孕烯-3,20-二酮
其它别名5-dihydr°Cortisol; 11-BETA,17-ALPHA,21-TRIHYDROXY-5-ALPHA-PREGNANE-3,20-DIONE; 5-ALPHA-DIHYDR°CORTISOL; 5-ALPHA-PREGNAN-11-BETA, 17,21-TRIOL-3,20-DIONE; 5ALPHA-PREGNAN-11BETA,17ALPHA,21-TRIOL-3,20-DIONE; ALLODIHYDR°CORTISOL; 5A-pregnane-11B,17A,21-triol-3,20-*dione; 11β,17,21-Trihydroxy-5α-pregnane-3,20-dione
CAS编号516-41-6
MFCD编号:MFCD00056495
FDA UNII编号:364XCM54BS
分子式:C21H32O5分子量:364.48
产品CID: 1506324
产品分类有机原料 → 脂质和类脂质分子 → 类固醇和类固醇衍生物

相似结构搜索
产品信息参考;
InChIKey: ACSFOIGNUQUIGE-SERXDUEGSA-N
1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15-,16-,18+,19-,20-,21-/m0/s1
计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数2.0

物理性质

熔点234-240°
沸点544.5 °C at 760mmHg
闪点297.1 °C
密度1.249g/cm3
PH:D25 +83° (acetone)
pKa:12.50±0.70(预测)
PSA:94.83
LogP:1.8615
折射率1.569
溶解性Chloroform (Slightly, Heated), Methanol (Slightly)
外观形态白色至类白色固体
储存条件冰箱

MSDS等安全信息

上下游产品

合成工艺路线路线简述

📜氢化可的松以乙醇作为反应溶剂,化学反应 96.0H,以62%的收率获得产物11-Beta,17-Alpha,21-三羟基-5-Alpha-孕烯-3,20-二酮
参考文献:Biotransformation Of Corticosteroids By Penicillium Decumbens Atcc 10436
标题:Biotransformation Of Corticosteroids By Penicillium Decumbens Atcc 10436
摘要:The Biotransformation Of A Series Of Corticosteroids By The Fungus Penicillium Decumbens Atcc 10436 Has Been Investigated. Conversion To The Corresponding 5 Alpha-Dihydrosteroid Was Observed For All The Delta(4)-3-Ketosteroids Studied With The Exception Of Deoxycorticosterone,Which Was Converted To A Delta(1,4)-Diene. Deoxycorticosterone Acetate Was,However,Converted To A 5 Alpha-Dihydro Product Concomitant With Ester Hydrolysis. Other Substrates Carrying A C-21 Acetoxy Group Were Also Hydrolyzed To The Alcohol. In Two Cases (Resulting From Deoxycorticosterone Acetate And 11-Deoxycortisone) The 5 Alpha-3-Keto Product Was Further Reduced To The 3 Beta-Alcohol. No Reduction Of Delta(1,4)-Dienes Was Observed.
DOI:10.1016/0039-128X(95)00071-W