CAS: 17008-69-4; 5-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-Dimethyl-11-Oxohexadecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)-2H-Pyran-2-One

该化合物是自然形成的化合物,被归类为类固醇,具有多种氢氧基组,有助于其溶解性和再活性,并表明存在碳基功能组;该化合物的特点是其独特的杀血剂结构,其中包括一种可以影响其生物活动的双环和氢氧基组的具体安排;这种化合物往往具有各种药理特性,包括潜在的抗炎和免疫性作用;多种功能组的存在使得能够与生物感应体相互作用,使其对药用化学和药理学感兴趣;其结构复杂性和立体化学学对于其生物功能和功效至关重要;与许多类类衍生物一样,它也可能在各种生物化学途径中发挥作用,有助于其在研究和潜在治疗用途中的重要性.

英文名称5-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-Dimethyl-11-Oxohexadecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)-2H-Pyran-2-One
中文名称伪异沙蟾毒精
IUPAC名称5-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
其它别名Bufarenogin; 3β,12α,14-Trihydroxy-11-Oxo-5β-Bufa-20,22-Dienolide; Pseudobufarenogenin; Pseudo-Bufarenogenin; Pseudobufarenogin; Bufa-20,22-Dienolide,3,12,14-Trihydroxy-11-Oxo-, (3B,5B,12A)-; Pseudobufarenogin (ψ-Bufarenogin); 5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pyran-2-One
CAS编号17008-69-4
MFCD编号:MFCD01751491
FDA UNII编号:G2C8C6T2N2
分子式:C24H32O6分子量:416.51
产品CID: 862250
产品分类生物化工 → 提取物

相似结构搜索
产品信息参考;;;;
InChIKey: SOGONHOGEFLVPE-BHZHDSHXSA-N
InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+
计算化学: 氢键受体数6.0氢键供体数3.0可旋转键数1.0

MSDS等安全信息

警示词warning
危险描述H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
防范说明P264 wash thoroughly after treatmentp280 wear protective gloves / wear protective clothing / wear protective eye masks / wear protective masksp305 if in eyesp351 rinse carefully with water for a few minutesp338 remove contact lenses (if any) and easy to operate, continue rinsingp337 if eye irritation persistsp2393 get medical advice / care
安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation

上下游产品

沙蟾毒精 Arenobufagin 464-74-4

合成工艺路线路线简述

📜沙蟾毒精置于alternaria Alternata As 3.4578体系中,用乙醇用作溶剂,化学反应 144.0H,以13%的收率获得3-Oxoarenobufagin
参考文献:Biotransformation Of Arenobufagin And Cinobufotalin Byalternaria Alternata
标题:Biotransformation Of Arenobufagin And Cinobufotalin Byalternaria Alternata
摘要:The Biotransformation Of Arenobufagin (1) And Cinobufotalin (2),Isolated From The Natural Medicine Chan Su,By Alternaria Alternata As 3.4578 Was Carried Out. Incubation Of 1 And 2 Afforded Six Metabolites: 3-Oxo-Arenobufagin (1A),Psi-Bufarenogin (1B),3-Oxo-Psi-Bufarenogin (1C),3-Oxo-Delta(4)-Derivative Of Cinobufotalin (2A),3-Oxo-Cinobufotalin (2B) And 12 Beta-Hydroxycinobufotalin (2C). Among Them,Metabolites 1A,1C And 2C Are New Compounds And Their Structures Were Characterized On The Basis Of Their Spectroscopic Data (NMR,Ms And Ir). Compounds 1,2,1B,2A And 2B Were Evaluated For Their Cytotoxicity Against Hepg2 And Mcf-7 Human Cancer Cells,And All Of Them Showed Significant Inhibitory Activities.
Doi:10.3109/10242422.2011.578248