1,2-bis(4-isothiocyanatophenyl)ethane | 15398-83-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2-bis(4-isothiocyanatophenyl)ethane
• 英文别名: 1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene；4,4'-Bis-isothiocyanato-bibenzyl；MRS-2567
• CAS: 15398-83-1
• 化学式: C₁₆H₁₂N₂S₂
• 分子量: 296.417
• InChiKey: KGPFLJVFCCOOEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(4-isothiocyanatophenyl)ethane 在 肼 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 2.0h， 生成 4,4'-Bis-(propyliden-thiosemicarbazono)-bibenzyl
  参考文献：
  名称：

  Diisothiocyanates and Derivatives¹

  摘要：

  DOI：

  10.1021/jo01053a509
• 作为产物：
  描述：

  4,4'-二氨基联苄 、 alkaline earth salt of/the/ methylsulfuric acid 在 碳酸氢钠 作用下， 以 氯仿 、 水 为溶剂， 反应 2.0h， 以70%的产率得到1,2-bis(4-isothiocyanatophenyl)ethane
  参考文献：
  名称：

  二异硫氰酸酯衍生物是P2Y6核苷酸受体的有效，不可逾越的拮抗剂。

  摘要：

  P2Y（6）核苷酸受体的生理作用可能涉及基于受体组织分布的心血管，免疫和消化功能，并且缺乏针对该受体的选择性拮抗剂。我们已经合成了一系列对称的芳基二异硫氰酸酯衍生物，并研究了它们抑制由重组P2Y受体的五种亚型激活引起的磷脂酶C（PLC）活性的能力。与激活人P2Y（1），P2Y（2），P2Y（4）和P2Y（11）受体相比，几种衍生物对1321N1人星形胶质细胞表达的人和大鼠P2Y（6）受体的UDP抑制作用更有效。二异硫氰酸酯衍生物对1,2-二苯乙烷（MRS2567）和1,4-二-（苯硫脲基）丁烷（MRS2578）的抑制作用取决于浓度，并且是无法克服的，IC（50）值分别为126 +/- 15 nM和37 +/- 16 nM（人类）和101 +/- 27 nM和98 +/- 11 nM（大鼠）。1,4-苯基苯二异硫氰酸酯（MRS2575）的衍生物仅抑制人类，但不抑制大鼠P2Y（6）受体活性。MRS2567和MRS2578在10

  DOI：

  10.1016/j.bcp.2004.01.011

文献信息

• A New Nonpolar <i>N</i> -Hydroxy Imidazoline Lead Compound with Improved Activity in a Murine Model of Late-Stage Trypanosoma brucei brucei Infection Is Not Cross-Resistant with Diamidines
  作者：Carlos H. Ríos Martínez、Florence Miller、Kayathiri Ganeshamoorthy、Fabienne Glacial、Marcel Kaiser、Harry P. de Koning、Anthonius A. Eze、Laura Lagartera、Tomás Herraiz、Christophe Dardonville

  DOI：10.1128/aac.03958-14

  日期：2015.2

  slightly improve survival. In addition, 14d showed weak activity in the chronic model of central nervous system infection in mice. No evidence of reduction of this compound with hepatic microsomes and mitochondria was found in vitro, suggesting that N-hydroxy imidazolines are metabolically stable and have intrinsic activity against T. brucei. In contrast to its unsubstituted parent compound, the uptake

  晚期昏睡病的治疗需要能够穿过血脑屏障（BBB）到达大脑中寄生虫的药物。我们在这里报告了比西咪唑啉的四种新的N-羟基和12种新的N-烷氧基衍生物的合成和评估，它们可作为治疗晚期昏睡病的潜在药物。这些化合物与母体铅相比具有降低的碱性（即，在生理pH下离子化程度较低），并在体外针对第一阶段和第二阶段昏睡病的鼠模型对布鲁氏锥虫进行了体外评估，并在体内进行了评估。还确定了耐药性，理化参数，体外血脑屏障通透性和微粒体稳定性。N-羟基咪唑啉类似物在体内最有效，其中4-（（1-hydroxy-4，5-二氢-1H-咪唑-2-基）氨基）-N-（4-（（1-羟基-4,5-二氢-1H-咪唑-2-基）氨基）苯基）苯甲酰胺（14d）显示100治愈第一阶段疾病的百分率是15％，而15d，16d和17d似乎可以稍微提高生存率。另外，在小鼠中枢神经系统感染的慢性模型中，14d显示出弱的活性。在体外未发现该化合物被肝微粒体和
• CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20200190106A1

  公开（公告）日：2020-06-18

  A chromene compound having at least one indenonaphthopyran moiety which has a group forming a spiro ring together with the 13-position carbon atom and further an oligomer chain group selected from a polyalkylene oxide oligomer chain group having at least three recurring units and a polyester oligomer chain group having at least three recurring units, represented by the following formula and having reduced matrix dependence: wherein R 1 and R 2 are each a group which may have an oligomer chain group, the ring Z bonded to the 13-position carbon atom of the chromene compound is a Spiro ring group, and R 3 and R 4 are each an aryl group or heteroaryl group which may have an oligomer chain group. Preferably, the chromene compound has at least one oligomer chain group in the molecule.

  具有至少一个印苯并萘吡喃基团的色酮化合物，其中该基团与13位碳原子形成螺环，并且进一步具有从至少三个重复单元中选择的聚烷氧基寡聚物链基团和聚酯寡聚物链基团中的一个寡聚物链基团，由下式表示并具有降低的矩阵依赖性： 其中R1和R2是各自可能具有寡聚物链基团的基团，与色酮化合物的13位碳原子键合的环Z是螺环基团，而R3和R4是各自可能具有寡聚物链基团的芳基或杂环基团。最好，该色酮化合物在分子中至少具有一个寡聚物链基团。
• High impact poly (urethane urea) polysulfides
  申请人：Bojkova V. Nina

  公开号：US20050282991A1

  公开（公告）日：2005-12-22

  The present invention relates to a sulfur-containing polyureaurethane and a method of preparing said polyureaurethane. In an embodiment, the sulfur-containing polyureaurethane adapted to have a refractive index of at least 1.57, an Abbe number of at least 32 and a density of less than 1.3 grams/cm 3 , when at least partially cured.

  本发明涉及一种含硫聚脲脲酯及其制备方法。在一种实施例中，所述含硫聚脲脲酯适于至少部分固化时具有折射率至少为1.57，阿贝数至少为32，密度小于1.3克/立方厘米。
• Sulfur-containing oligomers and high index polyurethanes prepared therefrom
  申请人：Bojkova V. Nina

  公开号：US20070142605A1

  公开（公告）日：2007-06-21

  The present invention provides polythiol oligomer formed by the reaction of at least two or more different dienes and at least one or more dithiol wherein stoichiometric ratio of the sum of the number of equivalents of all polythiols to the sum of the number of equivalents of all dienes used to form said polythiol oligomer is greater than 1.0:1.0; and wherein said two or more different dienes comprise (a) at least one non-cyclic diene and at least one cyclic diene; or (b) at least one aromatic ring-containing diene and at least one non-aromatic cyclic diene; or (c) at least one non-aromatic monocyclic diene and at least one non-aromatic polycyclic diene; Sulfur-containing polyurethane of the present invention can be prepared by combining polyisocyanate, polyisothiocyanate, or mixture thereof; the polythiol oligomer described above; and active hydrogen-containing material.

  本发明提供了一种多硫基寡聚物，其由至少两种或更多不同的二烯和至少一种或更多的二硫醇反应形成，其中所有多硫醇的当量数之和与用于形成所述多硫基寡聚物的所有二烯的当量数之和的比例大于1.0：1.0；且所述两种或更多不同的二烯包括(a)至少一种非环状二烯和至少一种环状二烯；或(b)至少一种含芳香环的二烯和至少一种非芳香环的二烯；或(c)至少一种非芳香单环二烯和至少一种非芳香多环二烯。本发明的含硫聚氨酯可以通过将多异氰酸酯、多异硫氰酸酯或其混合物与上述多硫醇寡聚物和含有活性氢的材料结合而制备。
• Polyurethanes and sulfur-containing polyurethanes and methods of preparation
  申请人：Bojkova Nina

  公开号：US20070142604A1

  公开（公告）日：2007-06-21

  The present invention relates to polyurethanes and sulfur-containing polyurethanes and methods for their preparation. Polyurethanes of the present invention can be prepared by combining polyisocyanate; trifunctional or higher-functional polyol having molecular weight of less than or equal to 200 grams/mole; and diol having molecular weight of less than or equal to 200 grams/mole. Sulfur-containing polyurethanes of the present invention can be prepared by combining polyisocyanate and/or polyisothiocyanate; trifunctional or higher-functional polyol having molecular weight of less than or equal to 200 grams/mole, and/or trifunctional or higher-functional polythiol having molecular weight of less than or equal to 600 grams/mole; and diol having molecular weight of less than or equal to 200 grams/mole and/or dithiol having molecular weight of less than or equal to 600 grams/mole.

  本发明涉及聚氨酯和含硫聚氨酯以及它们的制备方法。本发明的聚氨酯可以通过将多异氰酸酯、分子量小于等于200克/摩尔的三官能或更高官能的多元醇和分子量小于等于200克/摩尔的二元醇组合而制备。本发明的含硫聚氨酯可以通过将多异氰酸酯和/或多异硫氰酸酯、分子量小于等于200克/摩尔的三官能或更高官能的多元醇和/或分子量小于等于600克/摩尔的三官能或更高官能的多硫醇以及分子量小于等于200克/摩尔的二元醇和/或分子量小于等于600克/摩尔的二硫醇组合而制备。