94608-23-8 (顺式白藜芦醇三甲醚,cis-trismethoxy Resveratrol (Solution in Ethanol))

CAS号:
94608-23-8
中文名称:
顺式白藜芦醇三甲醚
英文名称:
cis-trismethoxy Resveratrol (Solution in Ethanol)
分子式:
C17H18O3
分子量:
270.323025226593
简介:
Cis-trismethoxy resveratrol 是一种有效的抗有丝分裂活性物,抑制微管蛋白聚合,IC50 值为 4 μM。

顺式白藜芦醇三甲醚(94608-23-8)名称与标识符

名称

中文别名:
顺式白藜芦醇三甲醚;
英文别名:
Benzene,1,3-dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-;(Z)-3,5,4'-TRIMETHOXYSTILBENE;cis-trismethoxy Resveratrol;1,3-Dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]benzene (ACI);Benzene, 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (Z)- (ZCI);(Z)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxyphenyl)ethene;(Z)-3,5,4′-Trimethoxystilbene;3,4′,5-Trimethoxy-cis-stilbene;SR-01000946368;,3-dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-benzene;(Z)-3,5,40-Trimethoxystilbene;1,3-dimethoxy-5-[(1Z)-2-(4-methoxyphenyl)ethenyl]benzene;1,3-dimethoxy-5-[(1z)-2-(4-methoxyphenyl)ethenyl]-benzene, AldrichCPR;cis-Stilbene Derivative, 5a;HY-121989;A845021;AKOS025401671;cis-Trismethoxyresveratrol;SCHEMBL1006207;HMS3648G16;BDBM23940;SR-01000946368-1;CS-0083811;cis-trismethoxy Resveratrol (Solution in Ethanol);CHEMBL311636;AC-24237;(Z)-3,4',5-trimethoxystilbene;(z)-1,3-dimethoxy-5-(4-methoxystyryl)benzene;94608-23-8;1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene;DTXSID501306933;GDHNBPHYVRHYCC-PLNGDYQASA-N;8Z-3,4',5-trimethoxystilbene;CIS-TRIMETHOXY STILBENE;(Z)-3,5,4a(2)-Trimethoxystilbene;

标识符

InChIKey:
GDHNBPHYVRHYCC-PLNGDYQASA-N
Inchi:
1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
SMILES:
C(/C1C=C(OC)C=C(OC)C=1)=C/C1C=CC(OC)=CC=1

顺式白藜芦醇三甲醚(94608-23-8)物化性质

实验特性

  • LogP : 3.88280
  • PSA : 27.69000
  • 折射率 : 1.6
  • 沸点 : 423.8±35.0 °C at 760 mmHg
  • 熔点 : 57 °C
  • 蒸气压 : 0.0±1.0 mmHg at 25°C
  • 闪点 : 144.4±23.2 °C
  • 密度 : 1.1±0.1 g/cm3

计算特性

  • 精确分子量 : 270.125594432g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 270.125594432g/mol
  • 重原子数量 : 20
  • 复杂度 : 283
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.1
  • 拓扑分子极性表面积 : 27.7Ų

顺式白藜芦醇三甲醚(94608-23-8)推荐厂家 更多厂家(11)

顺式白藜芦醇三甲醚(94608-23-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Anti-mitotic properties of resveratrol analog (Z)-3,5,4'-trimethoxystilbene
Chabert, Philippe; Fougerousse, Andre; Brouillard, Raymond, BioFactors, 2006, 27(1-4), 37-46
合成路线:1 步
反应条件:
参考文献:
Method for the synthesis of (Z)-3,5,4'-trimethoxystilbene, a trimethyl derivative of resveratrol, the resulting compound, and uses of said compound, in particular as a medicine, and particularly as an anticancer drug
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
E-selective isomerization of stilbenes and stilbenoids through reversible hydroboration
Gray, Erin E.; Rabenold, Lake E.; Goess, Brian C., Tetrahedron Letters, 2011, 52(46), 6177-6179
合成路线:1 步
反应条件:
参考文献:
Method for preparing diphenylethylene from 2,3-diphenyl acrylic acid
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis of radiolabeled stilbene derivatives as new potential PET probes for aryl hydrocarbon receptor in cancers
Gao, Mingzhang; Wang, Min; Miller, Kathy D.; Sledge, George W.; Hutchins, Gary D.; et al, Bioorganic & Medicinal Chemistry Letters, 2006, 16(22), 5767-5772
合成路线:1 步
反应条件:
参考文献:
Improved method for synthesizing resveratrol
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Copper-catalysed, diboron-mediated cis-dideuterated semihydrogenation of alkynes with heavy water
Han, Xiaowei; Hu, Jiefeng; Chen, Cheng; Yuan, Yu; Shi, Zhuangzhi, Chemical Communications (Cambridge, 2019, 55(48), 6922-6925
合成路线:1 步
反应条件:
参考文献:
Chromium-catalyzed stereodivergent E- and Z-selective alkyne hydrogenation controlled by cyclic (alkyl)(amino)carbene ligands
Ling, Liang ; Hu, Chenyang ; Long, Linhong; Zhang, Xue ; Zhao, Lixing ; et al, Nature Communications, 2023, 14(1),
合成路线:1 步
反应条件:
参考文献:
A simple nickel catalyst enables broad E-selective alkyne semihydrogenation
Thiel, Niklas O.; Kaewmee, Benyapa; Ngoc, Trung Tran; Teichert, Johannes F., ChemRxiv, 2019, 1, 1-7
合成路线:1 步
反应条件:
参考文献:
Synthesis of resveratrol
Hou, Bing-bo; Feng, Jiang-jiang; Yang, Sheng-wei; Ao, Gui-zhen, Huaxue Shiji, 2011, 33(12), 1141-1143
合成路线:1 步
反应条件:
参考文献:
Method for preparation of (E)-Resveratrol
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Stereospecific synthesis of cis-stilbenes from benzaldehydes and phenylacetic acids via sequential Perkin condensation and decarboxylation
Thompson, Clayton M.; Orellana, Matthew D.; Lloyd, Shannon E.; Wu, Weiming, Tetrahedron Letters, 2016, 57(43), 4866-4868
合成路线:1 步
反应条件:
参考文献:
(Z)-(2-Bromovinyl)-MIDA boronate: a readily accessible and highly versatile building block for small molecule synthesis
Woerly, Eric M.; Struble, Justin R.; Palyam, Nagarjuna; O'Hara, Sean P.; Burke, Martin D., Tetrahedron, 2011, 67(24), 4333-4343
合成路线:1 步
反应条件:
参考文献:
Efficient synthesis of natural polyphenolic stilbenes: resveratrol, piceatannol and oxyresveratrol
Sun, Hong-Yi; Xiao, Chun-Fen; Cai, Yu-Chen; Chen, Yu; Wei, Wen; et al, Chemical & Pharmaceutical Bulletin, 2010, 58(11), 1492-1496
合成路线:1 步
反应条件:
参考文献:
Microwave-assisted and ligand-accelerated decarboxylation of 2,3-diaryl acrylic acids
Liu, Xianke; Wu, Wei; Lv, Zeliang; Zou, Yong, Huaxue Tongbao, 2012, 75(6), 526-531
合成路线:1 步
反应条件:
参考文献:
Hydroxyl Substitutional Effect on Selective Synthesis of cis, trans Stilbenes and 3-Arylcoumarins Through Perkin Condensation
Xiao, Chun-Fen; Zou, Yong; Du, Jian-Li; Sun, Hong-Yi; Liu, Xian-Ke, Synthetic Communications, 2012, 42(9), 1243-1258
合成路线:1 步
反应条件:
参考文献:
An efficient synthesis of resveratrol and a hydroxyl derivative via the perkin reaction: cis to trans isomerization in a demethylation process
Li, Guoxing; Zou, Yong; Zhang, Xuejing, Journal of Chemical Research, 2007, (11), 657-659
合成路线:1 步
反应条件:
参考文献:
Diversity-oriented synthesis of disubstituted alkenes using masked silanols
Sore, Hannah F.; Blackwell, David T.; MacDonald, Simon J. F.; Spring, David R., Organic Letters, 2010, 12(12), 2806-2809
合成路线:1 步
反应条件:
参考文献:
2-Amino and 2'-Aminocombretastatin Derivatives as Potent Antimitotic Agents
Chang, Jang-Yang; Yang, Ming-Fang; Chang, Chi-Yen; Chen, Chi-Ming; Kuo, Ching-Chuan; et al, Journal of Medicinal Chemistry, 2006, 49(21), 6412-6415
合成路线:1 步
反应条件:
参考文献:
Preparation of substituted electron rich diphenylacetylenes and stilbene derivatives
, World Intellectual Property Organization, , ,

顺式白藜芦醇三甲醚(94608-23-8)相关文献

顺式白藜芦醇三甲醚(94608-23-8)参考资料

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