CAS: 2447-70-3; Methyl 5-Ethylidene-9-Methyl-1,2,5,6-Tetrahydro-4H,9H-3,8A,6-(Epiethane[1,1,2]Triyl)Azocino[4',5':3,4]Furo[2,3-B]Indole-6A(7H)-Carboxylate

该化合物是属于碱类的化学化合物,具体来自Apocynicaceae家族的植物基因.该化合物具有一个复杂的结构,具有双环框架特征,包括一个环氧类和一个碳盒体功能组.其立体化学作用非常重要,具体阿尔法和xI名称表明分子中原子的空间安排.该甲基组的存在有助于其总体稳定性和再活动.甲基(15pha,16xi,19E)-1-甲基-1,2-二氢-二氢-2,17-丙氧基氨-16-碳箱酸盐,可能显示生物活动,有可能影响各种生理过程,但需要进一步调查具体的药理特性.正如许多碱类名称所显示的那样,它可能会对医药化学产生影响,特别是在研制治疗剂方面.应当观测到生物活性措施的潜力.

英文名称Methyl 5-Ethylidene-9-Methyl-1,2,5,6-Tetrahydro-4H,9H-3,8A,6-(Epiethane[1,1,2]Triyl)Azocino[4',5':3,4]Furo[2,3-B]Indole-6A(7H)-Carboxylate
中文名称脱氧阿枯明
IUPAC名称methyl 5-ethylidene-9-methyl-1,2,5,6-tetrahydro-4H,9H-3,8a,6-(epiethane[1,1,2]triyl)azocino[4',5':3,4]furo[2,3-b]indole-6a(7H)-carboxylate
其它别名1,2-Dihydro-1-Methyl-2β,16-(Epoxymethano)Akuammilan-17-Oic Acid Methyl Ester; 10-Deoxyakuammine; Pseudoakuammigine; Deoxyakuammine; (16R)-2β,17-Epoxy-1-Methyl-1,2-Dihydro-Akuammilane-16-Carboxylic Acid Methyl Ester; 2H,12H-12A,2,7A-(Epoxyethanylylidene)Indolo[2,3-A]Quinolizine-15-Carboxylicacid, 3-Ethylidene-1,3,4,6,7,12B-Hexahydro-12-Methyl-, Methyl Ester,(2S,3E,7As,12As,12Bs,15R)- (9Ci); 2H,12H-12A,2,7A-(Epoxyethanylylidene)Indolo[2,3-A]Quinolizine-15-Carboxylic Acid, 3-Ethylidene-1,3,4,6,7,12B-Hexahydro-12-Methyl-, Methyl Ester, (2S,3E,7As,12As,12Bs,15R)-; (16R)-2β,17-Epoxy-1-Methyl-1,2-Dihydro-Akuammilane-16-Carboxylicacidmethylester
CAS编号2447-70-3
MFCD编号:MFCD26406075
FDA UNII编号:674R7808HC
分子式:C22H26N2O3分子量:366.46
产品CID: 1192876
产品分类天然产物 → 生物碱

相似结构搜索
产品信息参考;
InChIKey: HAGBWVNSVWLTKY-LNKIKWGQNA-N
InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3
计算化学: 氢键受体数5.0氢键供体数*可旋转键数2.0

物理性质

沸点498.0±45.0 °C at 760 mmHg
闪点255.0±28.7 °C
密度1.3±0.1 g/cm3
pKa:6.66±0.40(预测)
PSA:42.01
LogP:3.16
折射率1.662
蒸汽压0.0±1.3 mmHg at 25°C
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末
储存条件2-8°C，干燥环境，密闭
产品应用该化合物是生化物质.

MSDS等安全信息

危险品标志Xi

上下游产品

hydroxy-17 pseudoakuammigine ψ-Akuammigol

合成工艺路线路线简述

海关参考信息

2901210000-乙烯
2901220000-丙烯
2902600000-乙苯
2902700000-异丙基苯
💡 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-12435094-B1
优先权日:2024-11-12
标题:Methods of preparing isomers, analogs, and synthetic derivatives from akuamma seeds
发明人：MITCHELL HAYWOOD MAX; PAGE CECIL; MERINO JOSEPH WILLIAM
权利人:MITCHELL HAYWOOD MAX; PAGE CECIL; MERINO JOSEPH WILLIAM
摘要:Methods are provided for the extraction, isolation, and synthesis of akuammine and other naturally occurring alkaloids from the seeds of the plant Picralima nitida (Akuamma), and their conversion to a variety of isomers, analogs, and synthetic derivatives.

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

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主要参考文献

1: Andreansky ES, Blakey SB. An Iminium Ion Cascade Annulation Strategy for the Synthesis of Akuammiline Alkaloid Pentacyclic Core Structures. Org Lett. 2016 Dec 16;18(24):6492-6495. Epub 2016 Dec 1. Review.

合成参考文献

参考文献:10.1016/j.tetlet.2011.10.106
摘要:Ajala OS, Piggott AM, Plisson F, Khalil Z, Huang X, Adesegun SA, Coker HAB, Capon RJ. Ikirydinium A: a new indole alkaloid from the seeds of Hunteria umbellata (K. Schum). Tetrahedron Letters. 2011 Dec;52(52):7125–7. doi: 10.1016/j.tetlet.2011.10.106.