4-amino-3,5-diethylbenzonitrile | 127483-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-amino-3,5-diethylbenzonitrile
• CAS: 127483-70-9
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: CZHINLAXXJGWIV-UHFFFAOYSA-N

物化性质

• 沸点：
  313.5±30.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-amino-3,5-diethylbenzonitrile 在 四磷十氧化物 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Copolymerization of CO₂ and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators

  摘要：

  DOI：

  10.1021/om400977c
• 作为产物：
  描述：

  2,6-二乙基苯胺 在 N-碘代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-amino-3,5-diethylbenzonitrile
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY
  [FR] COMPOSÉS ET COMPOSITIONS POUR TRAITER DES ÉTATS ASSOCIÉS À UNE ACTIVITÉ DE NLRP

  摘要：

  在一个方面，公式（I）和（II）的化合物，或其药用可接受的盐，被特征化；公式（I），公式（II）或其药用可接受的盐，其中在公式（I）和（II）中显示的变量可以在本文的任何地方定义。

  公开号：

  WO2017184624A1

文献信息

• In Vitro and In Vivo Inhibition of the <i>Mycobacterium tuberculosis</i> Phosphopantetheinyl Transferase PptT by Amidinoureas
  作者：Samantha Ottavi、Sarah M. Scarry、John Mosior、Yan Ling、Julia Roberts、Amrita Singh、David Zhang、Laurent Goullieux、Christine Roubert、Eric Bacqué、H. Rachel Lagiakos、Jeremie Vendome、Francesca Moraca、Kelin Li、Andrew J. Perkowski、Remya Ramesh、Matthew M. Bowler、William Tracy、Victoria A. Feher、James C. Sacchettini、Ben S. Gold、Carl F. Nathan、Jeffrey Aubé

  DOI：10.1021/acs.jmedchem.1c01565

  日期：2022.2.10

  in analogues containing a para-substituted aromatic ring. Preliminary data reveal that while some analogues, including 1, have demonstrated cardiotoxicity (e.g., changes in cardiomyocyte beat rate, amplitude, and peak width) and inhibit Cav1.2 and Nav1.5 ion channels (although not hERG channels), inhibition of the ion channels is largely diminished for some of the para-substituted analogues, such as

  新近验证的结核病治疗靶点是磷酸泛酰巯基乙胺基转移酶，它是一种必需酶，在结核分枝杆菌的细胞脂质和毒力因子的生物合成中起关键作用。探索了最近公开的抑制剂脒脲 (AU) 8918 ( 1 ) 的构效关系，重点是生化效力、活性化合物全细胞靶向活性的测定以及选择性活性同源物的分析。这些研究表明，AU 8918 中的 AU 部分在很大程度上得到了优化，并且在含有对位取代芳环的类似物中获得了效力增强。初步数据显示，虽然一些类似物，包括1, 已证明有心脏毒性（例如，心肌细胞搏动率、幅度和峰宽的变化）并抑制 Ca v 1.2 和 Na v 1.5 离子通道（尽管不是 hERG 通道），对某些对离子通道的抑制作用大大减弱-取代的类似物，例如5k（对苯甲酰胺）和5n（对苯磺酰胺）。
• Quinizarin compound, method for production thereof, and use therefor
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0661350A1

  公开（公告）日：1995-07-05

  This invention is to provide a novel quinizarin compound which has a quinizarin structure represented by a following formula (1) having one to four of the 5, 6, 7, and 8 positions and at least either the 6 or 7 position formed of at least one member selected from the class consisting of secondary amino groups, alkylthio groups, and optionally substituted phenylthio groups, and having the remaining positions thereof formed of at least one member selected from the class consisting of hydrogen atom, halogen atoms, amino group, hydroxy group, alkoxy groups, and optionally substituted phenoxy groups, a method for the produciton thereof, and a dye, an electrophotographic grade color toner composition, a thermal-transfer recording sheet, an optical recording medium, an ink jet grade ink composition and a color filter severally comprising the quinizarin compound.

  本发明旨在提供一种新型喹嗪啉化合物，该化合物具有下式(1)所代表的喹嗪啉结构，其5、6、7和8位中的一至四个位以及至少6或7位上的至少一个位由选自仲氨基、烷硫基和任选取代的苯硫基组成的类别中的至少一个成员构成、其剩余位置由至少一个选自氢原子、卤素原子、氨基、羟基、烷氧基和任选取代的苯氧基组成的类别的成员构成；其生产方法；以及包含该喹吖啶化合物的染料、电子照相级彩色调色剂组合物、热转印记录片、光学记录介质、喷墨级墨水组合物和彩色滤光片。
• Color filter grade photosensitive resin coloring composition, and color filter using the same
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0833203A1

  公开（公告）日：1998-04-01

  A photosensitive resin coloring composition for use in a color filter containing a resin and a dye which is a material for the formation of a colored layer of the color filter, characterized in that the dye is manufactured with one member selected from the class consisting of a (C) group alone (which includes only phthalocyanine compounds represented by the formula (1) below and having one to eight unsubstituted or substituted alkoxy group(s) and/or unsubstituted or substituted phenoxy group(s) substituted at the 2, 3, 6, 7, 10, 11, 14 and 15 positions thereof), a combination of (A) + (B) groups, a combination of (A) + (C) groups, a combination of (B) + (C) groups, and a combination of (A) + (B) + (C) groups, wherein (A) represents a group of quinizarine compounds having a quinizarine skeleton in which one to three of the 5, 6, 7, and 8 positions and at least either of the 6 and 7 positions are each occupied by a secondary amino group and the remainders of the 5, 6, 7, and 8 positions are occupied each by at least one group selected from the class consisting of hydrogen atom, halogen atom, an unsubstituted or substituted alkoxy group, an unsubstituted or substituted phenoxy group, an unsubstituted or substituted alkylthio group, and an unsubstituted or substituted phenylthio group, (B) represents a group anthraquinone compounds having an anthraquinone skeleton in which one to three of the 1, 2, 3, and 4 positions are occupied each by at least one group selected from the class consisting of secondary amimo group, an unsubstituted or substituted alkoxy group, an unsubstituted or substituted phenoxy group, an unsubstituted or substituted alkylthio group, and an unsubstituted or substituted phenylthio group and the remainders of the 1, 2, 3, and 4 positions are occupied each by hydrogen atom or a halogen atom, and (C) represents a group of phthalocyanine compounds having a phthalocyanine skeleton represented by the following general formula (1) wherein M represents a divalent metal or a ligand-containing tetravalent metal in which one to eight of the 16 positions of benzene rings permitting substitution are occupied each by an unsubstituted or substituted alkoxy group and/or an unsubstituted or substituted phenoxy group and the remainders of the positions are occupied each by a halogen atom.

  一种用于彩色滤光片的光敏树脂着色组合物，含有树脂和染料，染料是形成彩色滤光片彩色层的材料，其特征在于染料是用选自以下类别的一个成员制造的：单独的(C)基团(仅包括下式(1)所代表的酞菁化合物，其具有1至8个未取代或取代的烷氧基和/或在2、(A)+(B)基团的组合、(A)+(C)基团的组合、(B)+(C)基团的组合以及(A)+(B)+(C)基团的组合、其中(A)代表一组具有喹嗪类骨架的喹嗪类化合物，其 5、6、7 和 8 位中的一至三个位以及 6 和 7 位中的至少一个位分别被仲氨基占据，而 5、6、7 和 8 位的剩余位分别被至少一个仲氨基占据、(B) 代表一组具有蒽醌骨架的蒽醌化合物，其中 1、2、3 和 4 位中的 1 至 3 位分别被至少一个选自仲氨基的基团占据、(C) 代表一组酞菁化合物，其酞菁骨架由以下通式 (1) 表示 其中 M 代表二价金属或含配体的四价金属，其中允许取代的苯环 16 个位置中的 1 至 8 个位置分别由未取代或取代的烷氧基和/或未取代或取代的苯氧基占据，其余位置分别由卤原子占据。
• Compounds and compositions for treating conditions associated with NLRP activity
  申请人：Novartis AG

  公开号：US11339136B2

  公开（公告）日：2022-05-24

  In one aspect, compounds of Formulae (I) and (II), or pharmaceutically acceptable salts thereof, are featured; Formula (I), Formula (II) or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formulae (I) and (II) can be as defined anywhere herein.

  在一个方面，以式（I）和（II）化合物或其药学上可接受的盐为特征；式（I）、式（II）或其药学上可接受的盐，其中式（I）和（II）中所示的变量可以如本文中任何地方所定义的那样。
• GOTO, YUKIXISA;MASAMOTO, KADZUXISA
  作者：GOTO, YUKIXISA、MASAMOTO, KADZUXISA

  DOI：——

  日期：——