4-叔丁基苯-1,3-二胺 | 10362-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-叔丁基苯-1,3-二胺
• 英文名称: 1-tert-butyl-2,4-diaminobenzene
• 英文别名: 4-tert-butylbenzene-1,3-diamine；4-tert-Butyl-1,3-phenylendiamin-hydrosulfat；4-tert-butyl-m-phenylenediamine；4-tert-Butyl-m-phenylendiamin；2,4-diamino-1-t-butylbenzene
• CAS: 10362-14-8
• 化学式: C₁₀H₁₆N₂
• 分子量: 164.25
• InChiKey: JFQJDZQPICZGJF-UHFFFAOYSA-N

物化性质

• 沸点：
  175-176 °C(Press: 17 Torr)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-叔丁基苯-1,3-二胺 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 methyl 2-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenylcarbamate
  参考文献：
  名称：

  Discovery of N-(2,4-Di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, Ivacaftor), a Potent and Orally Bioavailable CFTR Potentiator

  摘要：

  Quinolinone-3-carboxamide 1, a novel CFTR potentiator, was discovered using high-throughput screening in NIH-3T3 cells expressing the F508del-CFTR mutation. Extensive medicinal chemistry and iterative structure-activity relationship (SAR) studies to evaluate potency, selectivity, and pharmacokinetic properties resulted in the identification of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, 48, ivacaftor), an investigational drug candidate approved by the FDA for the treatment of CF patients 6 years of age and older carrying the G551D mutation.

  DOI：

  10.1021/jm5012808
• 作为产物：
  描述：

  叔丁基苯 以48%的产率得到4-叔丁基苯-1,3-二胺
  参考文献：
  名称：

  COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

  摘要：

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。

  公开号：

  US20110098311A1

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• Diimines and secondary diamines
  申请人：Lee Y. John

  公开号：US20060217567A1

  公开（公告）日：2006-09-28

  This invention provides aromatic diimines which have imino hydrocarbylidene groups with at least two carbon atoms, and aromatic secondary diamines which have amino hydrocarbyl groups with at least two carbon atoms. Both the aromatic diimines and the aromatic secondary diamines either are in the form of one phenyl ring, or are in the form of two phenyl rings connected by an alkylene bridge; each position ortho to an imino group or an amino group bears a hydrocarbyl group. When in the form of one phenyl ring, there are two imino groups on the ring or two amino groups on the ring; the imino groups or amino groups are meta or para relative to each other. When in the form of two phenyl rings connected by an alkylene bridge, there is either one imino group or one amino group on each phenyl ring. Also provided are processes for forming diimines and secondary diamines.

  这项发明提供了具有至少两个碳原子的亚烷基亚胺基团的芳香二亚胺和具有至少两个碳原子的氨基亚烷基团的芳香二胺。这些芳香二亚胺和芳香二胺可以是一个苯环的形式，也可以是由烷基桥连接的两个苯环的形式；每个邻位对着亚烷基基团或氨基基团。当以一个苯环的形式时，环上有两个亚胺基团或两个氨基团；亚胺基团或氨基团互为间位或对位。当以由烷基桥连接的两个苯环的形式时，每个苯环上要么有一个亚胺基团，要么有一个氨基基团。还提供了形成二亚胺和二胺的方法。
• Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states
  作者：Alexander Yu. Makarov、Yulia M. Volkova、Leonid A. Shundrin、Alexey A. Dmitriev、Irina G. Irtegova、Irina Yu. Bagryanskaya、Inna K. Shundrina、Nina P. Gritsan、Jens Beckmann、Andrey V. Zibarev

  DOI：10.1039/c9cc08557b

  日期：——

  methodology based on the self-condensation of 1,2,3-benzodithiazolyl diradicals (Herz radicals) produces unprecedented 5-6-6-6-5 and 5-6-7-6-5 pentacyclic sulfur-nitrogen near-IR dyes featuring up to five multiple long-lived and differently coloured redox-states.

  一种新的基于1,2,3-苯并二噻唑基双自由基（Herz自由基）自缩合的合成方法可产生前所未有的5-6-6-6-5和5-6-7-6-5五环硫氮- IR染料具有多达五个多个长寿命且颜色不同的氧化还原态。
• [EN] MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS<br/>[FR] MODULATEURS DE TRANSPORTEURS DE CASSETTE DE LIAISON A L'ATP
  申请人：VERTEX PHARMA

  公开号：WO2006002421A2

  公开（公告）日：2006-01-05

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子，其组合物和使用它们的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。