CAS: 40505-27-9; (5R,5Ar,8Ar,9R)-9-Hydroxy-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,5A,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(8H)-One

该化合物是一种自然产生的离子南衍生物,在结构上与popophyllotoxin有关,与Podophylum六氯丁二烯和Podophylum球塔图姆等物种隔离,是天然存在的离子南衍生物,是合成强效细胞毒剂,包括电子聚氨酯和铁球旁,广泛用于化疗的主要中间体.复合物表现出显著的抗烟道和抗病毒特性,因为它能够抑制二类异构体酶,干扰微囊组装.其脱甲基结构增强了再活性,使其成为进一步化学改变的宝贵前体.4'demethypophylotoxin对于研制新型抗癌剂和抗病毒疗法的制药研究具有重大兴趣.研究应用中可使用高纯度的纯度.

英文名称(5R,5Ar,8Ar,9R)-9-Hydroxy-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,5A,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(8H)-One
中文名称4'-去甲鬼臼毒素
IUPAC名称(5R,5aR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
其它别名4'-Demethylpodophyllotoxin; 4-Demethylpodophyllotoxin; (5R,5Ar,8Ar,9R)-9-Hydroxy-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,5A,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(8H)-One; 4'-O-Demethylpodophyllotoxin; (5R,5Ar,8Ar,9R)-5-Hy
CAS编号40505-27-9
MFCD编号:MFCD01725607
FDA UNII编号:7N5E50463V
分子式:C21H20O8
分子量:400.38
产品CID: 1418410
产品分类生物化工 → 提取物 → 植物提取物

相似结构搜索
产品信息参考;;;;
InChIKey: YVCVYCSAAZQOJI-BTINSWFASA-N
InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1…
计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数3.0

物理性质

熔点250-252 °C
沸点626.5 °C at 760 mmHg
闪点224.4 °C
密度1.446 g/cm3
pKa:9.94±0.40(预测)
PSA:103.68
LogP:2.1062
折射率1.637
溶解性DMSO: 250 mg/mL (624.41 Mm; Need Ultrasonic)
外观形态白色至类白色结晶
储存条件密封, 常温干燥保存
产品应用该化合物用作内容确定,识别和药理实验.

上下游产品

合成工艺路线路线简述

鬼臼毒素反应生成 4'-去甲鬼臼毒素
参考文献:Process For The Synthesis Of Anticancer (Poly) Aminoalkylaminoacetamide Derivatives Of Epipodophyllotoxin
标题:Process For The Synthesis Of Anticancer (Poly) Aminoalkylaminoacetamide Derivatives Of Epipodophyllotoxin
摘要:本发明描述了一种新的制备(多)氨基烷基氨基乙酰胺类环烯醚毒素化合物的过程,其在治疗学中作为抗癌剂有用.该过程包括将一种原始胺含有反应物(其胺功能未受保护)与β-氯乙酰胺基-4'-环烯醚毒素在极性无水有机溶剂中进行缩合反应的步骤.

海关参考信息

2902600000-乙苯
2905121000-正丙醇
2905399001-1,3-丙二醇
2905399002-1,4-丁二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-4122092-A
优先权日:1977-08-25
标题:Total synthesis of (Â±)-picropodophyllone and (Â±)-4'-demethylpicropodophyllone
发明人：KENDE ANDREW S; RUTLEDGE PETER S
权利人:UNIV ROCHESTER
摘要:Efficient total syntheses of (Â±)-picropodophyllone and (Â±)-4'-demethylpicropodophyllone are described. These compounds are intermediates in the preparation of known antineoplastic agents.

专利号:US-2011245484-A1
优先权日:2010-03-31
标题 :Stereoselective synthesis of phosphorus containing actives

专利号:WO-2011123668-A2
优先权日:2010-03-31
标题:Stereoselective synthesis of phosphorus containing actives

专利号:EP-2752422-A1
优先权日:2010-03-31
标题 :Stereoselective synthesis of phosphorus containing actives

专利号:EP-2752422-B1
优先权日:2010-03-31
标题:Stereoselective synthesis of phosphorus containing actives

专利号:EP-2552931-B1
优先权日:2010-03-31
标题:Stereoselective synthesis of phosphorus containing actives