1-(4-氯苯基)乙烷-1,2-二胺 | 69810-94-2

• 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: 1-(4-氯苯基)乙烷-1,2-二胺
• 英文名称: 1-(4-chlorophenyl)ethane-1,2-diamine
• 英文别名: 1-(4-chlorophenyl)-ethylenediamine；β-Amino-β-(4-chlorphenyl)-ethylamin；1-(4-Chlorphenyl)-aethylendiamin
• CAS: 69810-94-2
• 化学式: C₈H₁₁ClN₂
• mdl: MFCD12190312
• 分子量: 170.642
• InChiKey: DYQPAVDDRLNLKW-UHFFFAOYSA-N

物化性质

• 沸点：
  300.2±27.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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-tert-butyl-2-ethoxybenzoyl chloride 、 1-(4-氯苯基)乙烷-1,2-二胺 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 12.5h， 以65 mg的产率得到2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Deconstruction of a Nutlin: Dissecting the Binding Determinants of a Potent Protein–Protein Interaction Inhibitor

  摘要：

  Protein-protein interaction (PPI) systems represent a rich potential source of targets for drug discovery, but historically have proven to be difficult, particularly in the lead. identification stage. Application of the fragment-based approach may help toward success with this target class. To provide an example toward understanding the potential issues associated with such an application, we have deconstructed one of the best established protein-protein inhibitors, the Nutlin series that inhibits the interaction between MDM2 and p53, into fragments, and surveyed the resulting binding properties using heteronuclear single quantum coherence nuclear magnetic resonance (HSQC NMR), surface plasmon resonance (SPR), and X-ray crystallography. We report the relative contributions toward binding affinity for each key substituents of the Nutlin molecule and show that this series could hypothetically have been discovered via fragment approach. We find that the smallest fragment of Nutlin that retains binding accesses two subpockets of MDM2 and has a molecular weight at the high end of the range that normally defines fragments.

  DOI：

  10.1021/ml400062c
• 作为产物：
  描述：

  2-氨基-2-(对氯苯基)乙腈 在 platinum(IV) oxide 盐酸 、 氢气 作用下， 以 乙醚 为溶剂， 60.0 ℃ 、325.0 kPa 条件下， 反应 49.0h， 生成 1-(4-氯苯基)乙烷-1,2-二胺
  参考文献：
  名称：

  McLaren, Ashley B.; Baker, Richmond J.; Wilson, J. Gerald, Australian Journal of Chemistry, 1987, vol. 40, # 3, p. 449 - 454

  摘要：

  DOI：

文献信息

• Iodine(III)-Promoted Intermolecular Diamination of Alkenes
  作者：José A. Souto、Yolanda González、Alvaro Iglesias、Debora Zian、Anton Lishchynskyi、Kilian Muñiz

  DOI：10.1002/asia.201101025

  日期：2012.5

  A rapid and productive vicinal diamination of alkenes takes place in the presence of a hypervalent iodine(III) reagent and bissulfonimides as nitrogen sources. A total of more than 60 examples are presented. The reaction is characterized by its robustness and its wide substrate scope: it proceeds selectively with both terminal and internal alkenes and tolerates a range of functional groups.

  在高价碘（III）试剂和双磺酰亚胺作为氮源的情况下，烯烃的快速邻位氨化反应迅速进行。总共提供了60多个示例。该反应的特点是它的耐用性和广泛的底物范围：它与末端烯烃和内部烯烃都选择性进行，并能耐受一定范围的官能团。
• Antihypertensive 1-substituted-4-(2-oxo-1-imidazolidinyl) piperidines
  申请人：Ciba-Geigy Corporation

  公开号：US04144344A1

  公开（公告）日：1979-03-13

  A process known per se for the manufacture of oxygenated N-aryl-diazacyclic compounds of the formula ##STR1## wherein EACH OF R.sub.1 and R.sub.2 represents a substituted or unsubstituted aryl group and alk represents a lower alkylene group which separates both nitrogen atoms from each other by 2 or 3 carbon atoms, or salts thereof. The novel compounds can be used as antihypertensives, antitachycardiac agents and .alpha.-receptor blockers.

  一种已知的用于制备氧化N-芳基二氮杂环化合物的方法，其化学式为##STR1##其中R.sub.1和R.sub.2分别表示取代或未取代的芳基，alk表示一个低碳烷基，该烷基通过2或3个碳原子将两个氮原子分隔开，或其盐。这些新颖化合物可用作降压药、抗心动过速药和α-受体阻断剂。
• CYCLOHEXANE DERIVATIVES AND USES THEREOF
  申请人：BARNES David

  公开号：US20110136735A1

  公开（公告）日：2011-06-09

  The present invention provides a compound of formula I; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种I式化合物；一种制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• [EN] CIS-IMIDAZOLINES AS MDM2 INHIBITORS<br/>[FR] CIS-IMIDAZOLINES INHIBITEURS DE MDM2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003051360A1

  公开（公告）日：2003-06-26

  The present invention provides compounds according to formula I and formula II and pharmaceutically acceptable salts and esters thereof, having the designations provided herein and which inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity (I) (II).

  本发明提供了公式I和公式II的化合物及其药学上可接受的盐和酯，具有本文所提供的命名，并抑制MDM2蛋白与类p53肽的相互作用，并具有抗增殖活性。 (I)(II)。
• Oxygenated N-aryl-diazacyclic compounds
  申请人：Ciba-Geigy Corporation

  公开号：US04217350A1

  公开（公告）日：1980-08-12

  A process known per se for the manufacture of oxygenated N-aryl-diazacyclic compounds of the formula ##STR1## wherein each of R.sub.1 and R.sub.2 represents a substituted or unsubstituted aryl group and alk represents a lower alkylene group which separates both nitrogen atoms from each other by 2 or 3 carbon atoms, or salts thereof. The novel compounds can be used as antihypertensives, antitachycardiac agents and .alpha.-receptor blockers.

  一种已知的工艺，用于制造式子为##STR1##的含氧N-芳基二氮杂环化合物，其中R.sub.1和R.sub.2分别代表取代或未取代的芳基基团，而alk代表将两个氮原子相互分离的较低碳数的烷基链，其碳数为2或3，或其盐。这些新型化合物可用作降压剂、抗心动过速剂和α-受体阻滞剂。