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(-)-(4E,7S)-7-methoxydodec-4-enoic acid | 290354-60-8

中文名称
——
中文别名
——
英文名称
(-)-(4E,7S)-7-methoxydodec-4-enoic acid
英文别名
(4E,7S)-(-)-7-methoxydodec-4-enoic acid;(4E,7S)-7-methoxydodec-4-enoic acid;(E,7S)-7-methoxydodec-4-enoic acid
(-)-(4E,7S)-7-methoxydodec-4-enoic acid化学式
CAS
290354-60-8
化学式
C13H24O3
mdl
——
分子量
228.332
InChiKey
KBMNVOKQUUZFOO-PZBABLGHSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    341.0±35.0 °C(Predicted)
  • 密度:
    0.958±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    16
  • 可旋转键数:
    10
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.77
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Total Synthesis and Correct Absolute Configuration of Malyngamide U
    作者:Yang Li、Jian-Peng Feng、Wen-Hua Wang、Jie Chen、Xiao-Ping Cao
    DOI:10.1021/jo061456n
    日期:2007.3.1
    enantioselective synthesis of the previously proposed structure of malyngamide U (1) was accomplished in 18 steps from (S)-(+)-carvone. The key steps involved a hydroxymethylation of (S)-(+)-carvone and an asymmetric Henry reaction of aldehyde (+)-5, as well as condensation with the acid 3. The 1H and 13C NMR data of the synthetic compound 1 were not consistent with the data of the reported malyngamide
    从(S)-(+)-香芹酮分18步完成先前提出的malyngamide U(1)结构的对映选择性合成。关键步骤涉及(S)-(+)-香芹酮的羟甲基化和醛(+)- 5的不对称亨利反应,以及与酸3的缩合。合成化合物1的1 H和13 C NMR数据与报道的麦芽酰胺U的数据不一致。因此,化合物1的C-2'差向异构体是通过相似的反应序列合成的。而C-2'差向异构体的NMR数据23与所报道的产品完全一致,具体旋转数据的差异表明,麦芽酰胺U的正确结构应为结构2,其中胺部分的绝对构型与化合物23中的对映体相同。然后,通过(R)-(-)-香芹酮的类似合成,确认了修饰的麦芽酰胺U(2)的正确绝对构型。
  • A Stereoselective Synthesis of (4<i>E</i>,7<i>S</i>)-(-)-7-Methoxydodec-4-enoic Acid
    作者:Xiao-Ping Cao、Yang Li、Jie Chen
    DOI:10.1055/s-2005-918516
    日期:——
    A stereoselective synthesis of (4E,7S)-(-)-7-methoxydodec-4-enoic acid has been accomplished in eight steps from hexanal in 24% overall yield. The key steps involved the catalytic asymmetric allylation of hexanal and the coupling reaction of a chiral alkyne and a protected bromide in the presence of t-BuLi.
    由己醛通过八步立体选择性合成(4E,7S)-(-)-7-甲氧基十二-4-烯酸,总产率为24%。关键步骤涉及己醛的催化不对称烯丙基化以及手性炔烃和受保护的溴化物在叔丁基锂存在下的偶联反应。
  • NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS
    申请人:Brown Milton L.
    公开号:US20110230442A1
    公开(公告)日:2011-09-22
    Disclosed are molecules and their synthesis, for use in blocking gated ion channels such as voltage-gated sodium channels (VGSCs) and prostate voltage sodium channels (PVSCs). These inhibitors have superior blocking efficacy, for instance in displacing the radioligand [ 3 H]-Batrachotoxin-B ([ 3 H]-BTX-B) that binds to site 2 of a VGSC. The molecules of the invention comprise a moiety which increases the binding affinity of molecules for the protein binding site in prostate cancer cells (PCs), and which is also fluorescent. In one embodiment the invention molecules are an inhibition system that can be used to target over-abundant or hyperactive VGSCs selectively in pain, epilepsy or prostate cancer, inhibiting the proliferation of PCs. The fluorescent moiety also facilitates screening, tracking, and pharmacodynamic studies of the drug in a biological system both in vitro and in vivo.
    本发明涉及分子及其合成,用于阻断门控离子通道,例如电压门控钠通道(VGSC)和前列腺电压钠通道(PVSC)。这些抑制剂具有卓越的阻断效力,例如在取代结合到VGSC的位点2的放射性配体[3H]-Batrachotoxin-B ([3H]-BTX-B)方面。本发明的分子包括一个基团,增加分子对前列腺癌细胞(PC)中蛋白质结合位点的结合亲和力,并且也是荧光的。在一种实施方式中,本发明的分子是一种抑制系统,可用于选择性地靶向过度丰富或过度活跃的VGSC,从而抑制疼痛、癫痫或前列腺癌的PC的增殖。荧光基团还有助于在体外和体内生物系统中筛选、跟踪和药效学研究药物。
  • A New Biologically Active Malyngamide from a New Zealand Collection of the Sea Hare <i>Bursatella leachii</i>
    作者:David R. Appleton、Mary A. Sewell、Michael V. Berridge、Brent R. Copp
    DOI:10.1021/np010511e
    日期:2002.4.1
    A new malyngamide, S (1), was isolated from a New Zealand collection of the sea hare Bursatella leachii and structurally characterized by spectroscopic methods and chemical degradation. Malyngamide S exhibited cytotoxicity and antiinflammatory properties.
    一种新的麦芽酰胺S(1)从新西兰海兔Bursatella leachii的集合中分离出,并通过光谱方法和化学降解对其结构进行了表征。麦芽酰胺S表现出细胞毒性和抗炎特性。
  • An Improved Asymmetric Synthesis of Malyngamide U and Its 2′-Epimer
    作者:Jian-Peng Feng、Zi-Fa Shi、Yang Li、Jun-Tao Zhang、Xian-Liang Qi、Jie Chen、Xiao-Ping Cao
    DOI:10.1021/jo800876u
    日期:2008.9.1
    An accelerated and improved asymmetric synthesis of malyngamide U (1) and its 2'-epimer (2'-epi-1) was accomplished from readily available n-hexanal, ethanolamine and (R)-(-)-carvone. The key steps involved a Johnson-Claisen rearrangement in the synthesis of an unsaturated carboxylic acid 4 and an aldol reaction in the construction of the skeleton of I and 2'-epi-1. There are 13 steps in the synthesis, with a 2.7% overall yield for 1 and a 0.4% yield for 2'-epi-1.
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