1-(Cyanoethyl)indene | 37848-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-(Cyanoethyl)indene
• 英文别名: 3-(2-Cyan-ethyl)-inden；3-inden-3-yl-propionitrile；3-(3H-inden-1-yl)propanenitrile
• CAS: 37848-83-2
• 化学式: C₁₂H₁₁N
• 分子量: 169.226
• InChiKey: YSDVJACPPLSTKL-UHFFFAOYSA-N

物化性质

• 沸点：
  123 °C(Press: 0.1 Torr)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(Cyanoethyl)indene 在 sodium hydroxide 作用下， 生成 3-茚-3-基-丙酸
  参考文献：
  名称：

  Clemo et al., Journal of the Chemical Society, 1951, p. 863,865

  摘要：

  DOI：
• 作为产物：
  描述：

  2-茚酮 在 sodium tetrahydroborate 、 sodium 、 对甲苯磺酸 作用下， 以 甲醇 、 乙醇 、 苯 为溶剂， 反应 35.25h， 生成 1-(Cyanoethyl)indene
  参考文献：
  名称：

  Intramolecular photoaddition of secondary .alpha.-(aminoalkyl)styrenes

  摘要：

  The photophysical and photochemical behavior of a aeries of alpha-[(N-methylamino)alkyl]styrenes with two to four methylenes separating the styryl and amino groups and an (aminoalkyl)indene have been investigated and the results compared to those for the intermolecular reaction of alpha-methylstyrene with diethylamine. Both inter- and intramolecular quenching of styrene fluorescence by the amine is observed, indicative of electron-transfer quenching as the initial step in these reactions. The resulting exciplex undergoes regioselective N-H proton transfer to styrene C-beta yielding a biradical, in the case of the intramolecular reaction, and a radical pair, in the case of the intermolecular reaction. Biradical or radical pair combination yields styrene-amine addition products. The conformation of the intermediate exciplex is proposed to control the regioselectivity of the intramolecular N-H proton transfer process.

  DOI：

  10.1021/jo00075a037

文献信息

• Design, synthesis and biological evaluation of tetrazole-containing RXRα ligands as anticancer agents
  作者：Zhiqiang Yan、Shuyi Chong、Huiyun Lin、Qian Yang、Xin Wang、Weidong Zhang、Xiaokun Zhang、Zhiping Zeng、Ying Su

  DOI：10.1016/j.ejmech.2018.12.036

  日期：2019.2

  plays an important role in many biological and pathological processes. The nongenomic action of RXRα is implicated in many cancers. K-8008, a non-canonical RXRα ligand derived from sulindac, inhibits the TNFα-activated PI3K/AKT pathway by mediating the interaction between a truncated form of RXRα (tRXRα) and the p85α regulatory subunit of PI3K and exerts potent anticancer activity in animal model. Herein

  核受体RXRα在许多生物学和病理学过程中起着重要作用。RXRα的非基因组作用与许多癌症有关。K-8008是源自舒林酸的非典型RXRα配体，它通过介导RXRα的截短形式（tRXRα）与PI3K的p85α调节亚基之间的相互作用来抑制TNFα激活的PI3K / AKT途径，并在动物中发挥有效的抗癌活性模型。在本文中，我们报告了我们对一系列新型K-8008类似物作为靶向RXRα的潜在抗癌药的研究。已确定两种化合物8b和18a与RXRα的结合稍强，并且在乳腺癌细胞中具有增强的凋亡活性。
• February asthma outbreaks in NSW: a case control study
  作者：Susan Lister、Vicky Sheppeard、Geoffrey Morgan、Stephen Corbett、Jill Kaldor、Richard Henry

  DOI：10.1111/j.1467-842x.2001.tb00315.x

  日期：2001.12

  Objectives: To investigate individual factors associated with an asthma outbreak among children aged one to 14 years in Sydney in February 1999. Methods: A case control study was undertaken with cases (n=92) defined as all children admitted to Sydney Children's Hospital for asthma in February 1999. Unmatched controls (n=76) were all children admitted for asthma in the previous three months. We obtained information by a structured telephone survey of parents. Logistic regression analyses were used to determine odds ratios for risk factors for hospital admission. Results: Mean age for hospital admission of 4.7 years for cases and 4.4 years for controls. The presence of one or more siblings reduced the risk of admission during an asthma outbreak (OR=0.59, 95% Cl 0.37 to 0.93). Children with older siblings aged 10 to 14 years were also less likely to be admitted (OR=0.3, 95% Cl 0.12 to 0.74). An age effect was observed. Other demographic, clinical and environmental characteristics, including smoking, were not associated with admission during the outbreak. Conclusions: The main findings of this study are the protective effect of siblings and an age-dependent effect in risk of hospital admission during an asthma outbreak. These findings are consistent with an infective cause of the outbreak. Implications: Children without siblings, particularly older siblings, appear to be at highest risk of hospital admission during an asthma outbreak. Environmental and other factors need to be examined to further explain the episodicity of such outbreaks and to determine means of predicting and preventing future episodes.
• Dressler; Kurland, Journal of Organic Chemistry, 1964, vol. 29, p. 175,177
  作者：Dressler、Kurland

  DOI：——

  日期：——
• US4044040A
  申请人：——

  公开号：US4044040A

  公开（公告）日：1977-08-23
• US4092318A
  申请人：——

  公开号：US4092318A

  公开（公告）日：1978-05-30