N1-(叔丁基)苯-1,2-二胺 | 28458-68-6

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N1-(叔丁基)苯-1,2-二胺
• 英文名称: N¹-(tert-butyl)benzene-1,2-diamine
• 英文别名: 1-N-tert-Butylbenzene-1,2-diamine；2-N-tert-butylbenzene-1,2-diamine
• CAS: 28458-68-6
• 化学式: C₁₀H₁₆N₂
• 分子量: 164.25
• InChiKey: MOEDDZLJZIHCHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N1-(叔丁基)苯-1,2-二胺 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 1-(2-甲基-2-丙基)-1,3-二氢-2H-苯并咪唑-2-酮
  参考文献：
  名称：

  Phenylaminopropanol derivatives and methods of their use

  摘要：

  本发明涉及式I的苯胺丙醇衍生物： 或其药学上可接受的盐，含有这些衍生物的组合物，以及它们用于通过单胺再摄取改善的症状的预防和治疗方法，包括但不限于血管运动症状（VMS）、性功能障碍、胃肠道和泌尿系统疾病、慢性疲劳综合征、纤维肌痛综合征、神经系统疾病，以及其中的组合，特别是从包括重性抑郁障碍、血管运动症状、压力性和切勿性尿失禁、纤维肌痛、疼痛、糖尿病性神经病变以及其中的组合的一组中选择的那些症状。

  公开号：

  US20050222148A1
• 作为产物：
  描述：

  1-溴-2-硝基苯 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 40.0h， 生成 N1-(叔丁基)苯-1,2-二胺
  参考文献：
  名称：

  3-Phenyl-Substituted Imidazo[1,5-a]quinoxalin-4-ones and Imidazo[1,5-a]quinoxaline Ureas That Have High Affinity at the GABA_A/Benzodiazepine Receptor Complex

  摘要：

  A series of imidazo[1,5-alpha]quinoxalin-4-ones and imidazo[1,5-alpha]quinoxaline ureas containing substituted phenyl groups at the 3-position was developed. Compounds within the imidazo-[1,5-alpha]quinoxaline urea series had high affinity for the GABA(A)/benzodiazepine receptor complex with varying in vitro efficacy, although most analogs were partial agonists as indicated by [S-35]TBPS and Cl- current ratios. Interestingly, a subseries of piperazine ureas was identified which had biphasic efficacy, becoming more antagonistic with increasing concentration. Analogs within the imidazo [1,5-alpha] quinoxalin-4-one series had substantially decreased binding affinity as compared to the quinoxaline urea series. These compounds ranged from antagonists to full agonists by in. vitro analysis, with several derivatives having roughly 4-fold greater intrinsic activity than diazepam as indicated by Cl- current measurement. Numerous compounds from both series were effective in antagonizing metrazole-induced seizures, consistent with anti-convulsant properties and possible anxiolytic activity. Most of the quinoxaline ureas and quinoxalin-4-ones were active in an acute electroshock physical dependence side effect assay in mice precluding further development.

  DOI：

  10.1021/jm960070+

文献信息

• [EN] CRBN LIGANDS AND USES THEREOF<br/>[FR] LIGANDS CRBN ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2019140387A1

  公开（公告）日：2019-07-18

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of CRBN, and the treatment of CRBN-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物抑制CRBN并治疗CRBN介导的疾病的方法。
• GSK-3BETA INHIBITOR
  申请人：Kori Masakuni

  公开号：US20110039893A1

  公开（公告）日：2011-02-17

  For the purpose of providing a GSK-3β inhibitor containing a 2-aminopyridine compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (IA): wherein each symbol is as defined in the specification. or a salt thereof or a prodrug thereof.

  为了提供一种含有2-氨基吡啶化合物或其盐或其前药的GSK-3β抑制剂，用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种含有由下式（IA）表示的化合物的GSK-3β抑制剂： 其中每个符号如规范中定义。 或其盐或其前药。
• Design and Syntheses of a Series of Novel Serotonin3 Antagonists.
  作者：Manabu HORI、Kenji SUZUKI、Takeshi YAMAMOTO、Fumio NAKAJIMA、Akio OZAKI、Hiroshi OHTAKA

  DOI：10.1248/cpb.41.1832

  日期：——

  serotonin and serotonin3 (5-HT3) antagonists using a two-dimensional grid template composed of regular hexagons, we deduced structural modification patterns from agonists to antagonists, and designed new 5-HT3 antagonist prototypes. Among them, 2-(4-methyl-1-piperazinyl)-1-butylbenzimidazole (6) was identified as a lead compound which has potent 5-HT3 antagonistic activity comparable to that of granisetron

  通过使用由规则六边形组成的二维网格模板对5-羟色胺和5-羟色胺（5-HT3）拮抗剂进行结构比较研究，我们推导了从激动剂到拮抗剂的结构修饰方式，并设计了新的5-HT3拮抗剂原型。其中，将2-（4-甲基-1-哌嗪基）-1-丁基苯并咪唑（6）鉴定为具有与格拉司琼相当的强5-HT3拮抗活性的先导化合物。我们使用定量构效关系方法优化了6的结构并选择了6-氨基-5-氯-1-异丙基-2-（4-甲基-1-哌嗪基）苯并咪唑二马来酸酯（69，KB-6933），最有效和长效的5-HT3拮抗剂之一，作为候选药物。
• Reaction of Thiocarbonyl Fluoride Generated from Difluorocarbene with Amines
  作者：Jiao Yu、Jin-Hong Lin、Ji-Chang Xiao

  DOI：10.1002/anie.201710186

  日期：2017.12.22

  The reaction of thiocarbonyl fluoride, generated from difluorocarbene, with various amines under mild conditions is described. Secondary amines, primary amines, and o‐phenylenediamines are converted to thiocarbamoyl fluorides, isothiocyanates, and difluoromethylthiolated heterocycles, respectively. Thiocarbamoyl fluorides were further transformed into trifluoromethylated amines by using a one‐pot process

  描述了在温和条件下由二氟卡宾生成的硫代羰基氟化物与各种胺的反应。仲胺，伯胺和邻苯二胺分别转化为硫代氨基甲酰氟，异硫氰酸酯和二氟甲基硫代杂环。硫氨甲酰氟通过一锅法进一步转化为三氟甲基化胺。硫代羰基氟化物在原位生成，并在温和条件下在一锅中迅速完全转化；因此，不需要特殊的安全预防措施。
• [EN] BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF<br/>[FR] BENZIMIDAZOLES ET AZA-BENZIMIDAZOLES ET LEURS MÉTHODES D'UTILISATION
  申请人：GOLDFINCH BIO INC

  公开号：WO2019028308A1

  公开（公告）日：2019-02-07

  Disclosed are compounds according to Formula (I) or (II), and pharmaceutical compositions comprising them. Also disclosed are therapeutic methods, e.g., of treating kidney diseases, using the compounds of Formula (I) or (II). (Formulae (II), (III))

  根据公式（I）或（II）披露了化合物，以及包含它们的药物组合物。还披露了治疗方法，例如使用公式（I）或（II）的化合物治疗肾脏疾病。（公式（II），（III））