6-氯-N-苯基吡嗪-2-胺 | 642459-03-8

• 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: 6-氯-N-苯基吡嗪-2-胺
• 英文名称: 6-(chloropyrazin-2-yl)phenylamine
• 英文别名: 6-chloro-N-phenylpyrazin-2-amine；(6-chloro-pyrazin-2-yl)-phenyl-amine
• CAS: 642459-03-8
• 化学式: C₁₀H₈ClN₃
• 分子量: 205.647
• InChiKey: IMACCNVRJOXLEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  2-8°C，避光、干燥密封保存。

反应信息

• 作为反应物：
  描述：

  6-氯-N-苯基吡嗪-2-胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 四溴化碳 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 生成 6-(3-(bromomethyl)phenyl)-N-phenylpyrazin-2-amine
  参考文献：
  名称：

  Using ‘biased-privileged’ scaffolds to identify lysine methyltransferase inhibitors

  摘要：

  Methylation of histones by lysine methyltransferases (KMTases) plays important roles in regulating chromatin function. It is also now clear that improper KMTases activity is linked to human diseases, such as cancer. We report an approach that employs drug-like 'privileged' scaffolds biased with motifs present in S-adenosyl methionine, the cofactor used by KMTases, to efficiently generate inhibitors for Set7, a biochemically well-characterized KMTase. Setin-1, the most potent inhibitor of Set7 we have developed also inhibits the KMTase G9a. Together these data suggest that these inhibitors should provide good starting points to generate useful probes for KMTase biology and guide the design of KMTase inhibitors with drug-like properties. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.024
• 作为产物：
  描述：

  2,6-二氯吡嗪 、 苯胺 在 palladium diacetate potassium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以13%的产率得到6-氯-N-苯基吡嗪-2-胺
  参考文献：
  名称：

  [EN] PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH
  [FR] COMPOSÉS DE PYRAZOLE PYRAMINE AMINE EN TANT QU'INHIBITEURS DE KINASE, COMPOSITIONS LES CONTENANT ET PROCÉDÉ DE TRAITEMENT LES EMPLOYANT

  摘要：

  本文提供了具有以下结构的吡唑吡嗪胺化合物：Formula (I)。其中Q和R1-R3如本文所定义，包括有效量的吡唑吡嗪胺化合物的组合物，以及用于治疗或预防炎症症状、免疫症状、癌症、神经退行性疾病、与年龄相关的疾病、心血管疾病和代谢症状，或通过抑制IKK或IKK途径可治疗或预防的疾病，包括向需要的患者施用有效量的吡唑吡嗪胺化合物的方法。

  公开号：

  WO2009089042A1

文献信息

• [EN] SELECTIVE KINASE INHIBITORS<br/>[FR] INHIBITEURS SELECTIFS DE KINASES
  申请人：CYTOPIA RES PTY LTD

  公开号：WO2005066156A1

  公开（公告）日：2005-07-21

  A compound of the general formula (I) or pharmaceutically acceptable prodrugs, salts, hydrates, solvates, crystal forms or diastereomers thereof, wherein A represents a variety of six membered nitrogen containing heterocyclic rings, Q is a bond, halogen, C1-4 alkyl, O, S, SO2, CO or CS and X1, X2, X3 and X4 are optionally substituted by 9 specific substituents or one can be nitrogen. Compositions comprising a carrier and at least one compound of formula (I) are also provided. Further provided are methods of treating tyrosine kinase-associated disease states by administering a compound of formula (I) and methods of suppressing the immune system of a subject by administering a compound of formula (I).

  通用公式（I）或药学上可接受的前药、盐、水合物、溶剂合物、晶型或二对映异构体的化合物，其中A代表各种含六元杂环氮的环，Q是键，卤素，C1-4烷基，O，S，SO2，CO或CS，而X1、X2、X3和X4可以选择地被9种特定取代基取代，或者其中一个可以是氮。还提供了包含载体和至少一种公式（I）化合物的组合物。此外，还提供了通过给予公式（I）化合物来治疗酪氨酸激酶相关疾病状态的方法，以及通过给予公式（I）化合物来抑制受试者免疫系统的方法。
• Selective Kinase Inhibitors
  申请人：Styles Michelle Leanne

  公开号：US20080207613A1

  公开（公告）日：2008-08-28

  A compound of the general formula (I) or pharmaceutically acceptable prodrugs, salts, hydrates, solvates, crystal forms or diastereomers thereof, wherein A represents a variety of six membered nitrogen containing heterocyclic rings, Q is a bond, halogen, C 1-4 alkyl, O, S, SO 2 , CO or CS and X 1 , X 2 , X 3 and X 4 are optionally substituted by 9 specific substituents or one can be nitrogen. Compositions comprising a carrier and at least one compound of formula (I) are also provided. Further provided are methods of treating tyrosine kinase-associated disease states by administering a compound of formula (I) and methods of suppressing the immune system of a subject by administering a compound of formula (I).

  本发明涉及一种具有一般式(I)的化合物或药物可接受的前药、盐、水合物、溶剂合物、晶体形式或对映体，其中A代表多种六元杂环氮含杂环，Q为键，卤素，C1-4烷基，O，S，SO2，CO或CS，X1、X2、X3和X4可选地被9种特定取代基取代，或者其中一个可以是氮。还提供包含载体和至少一种式(I)的化合物的组合物。此外，本发明还提供了通过给予式(I)的化合物治疗酪氨酸激酶相关疾病状态的方法，以及通过给予式(I)的化合物抑制主体的免疫系统的方法。
• PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH
  申请人：Sloss Marianne

  公开号：US20090270418A1

  公开（公告）日：2009-10-29

  Provided herein are Pyrazole Pyrazine Amine Compounds having the following structure: Wherein Q and R 1 -R 3 are as defined herein, compositions comprising an effective amount of a Pyrazole Pyrazine Amine Compound and methods for treating or preventing inflammatory conditions, immunological conditions, cancer, neurodegenerative diseases, age-related diseases, cardiovascular diseases and metabolic conditions, or conditions treatable or preventable by inhibition of an IKK, or an IKK pathway, comprising administering an effective amount of a Pyrazole Pyrazine Amine Compound to a patient in need thereof.

  本文提供具有以下结构的吡唑吡嗪胺化合物：其中Q和R1-R3如本文所定义，包括有效量的吡唑吡嗪胺化合物的组合物以及用于治疗或预防炎症性疾病、免疫疾病、癌症、神经退行性疾病、与年龄相关的疾病、心血管疾病和代谢疾病，或通过抑制IKK或IKK途径可治疗或预防的疾病的方法，包括向需要治疗的患者投与有效量的吡唑吡嗪胺化合物。
• SELECTIVE KINASE INHIBITORS
  申请人：STYLES MICHELLE LEANNE

  公开号：US20110082142A1

  公开（公告）日：2011-04-07

  A compound of the general formula (I) or pharmaceutically acceptable prodrugs, salts, hydrates, solvates, crystal forms or diastereomers thereof, wherein A represents a variety of six membered nitrogen containing heterocyclic rings, Q is a bond, halogen, C 1-4 alkyl, O, S, SO 2 , CO or CS and X 1 , X 2 , X 3 and X 4 are optionally substituted by 9 specific substituents or one can be nitrogen. Compositions comprising a carrier and at least one compound of formula (I) are also provided. Further provided are methods of treating tyrosine kinase-associated disease states by administering a compound of formula (I) and methods of suppressing the immune system of a subject by administering a compound of formula (I).

  通式（I）或其药学上可接受的前药、盐、水合物、溶剂合物、晶体形式或对映体的化合物，其中A代表多种含六元杂环氮的杂环，Q是键、卤素、C1-4烷基、O、S、SO2、CO或CS，X1、X2、X3和X4可以选择性地被9个特定的取代基或一个可以是氮原子的取代基所取代。还提供包含载体和至少一种通式（I）化合物的组合物。此外，还提供了通过给予通式（I）化合物治疗酪氨酸激酶相关疾病状态的方法，以及通过给予通式（I）化合物抑制受试者的免疫系统的方法。
• Benzimidazoles as selective kinase inhibitors
  申请人：YM Biosciences Australia PTY Ltd

  公开号：US08329737B2

  公开（公告）日：2012-12-11

  A compound of the general formula (I) or pharmaceutically acceptable prodrugs, salts, hydrates, solvates, crystal forms or diastereomers thereof, wherein A represents a variety of six membered nitrogen containing heterocyclic rings, Q is a bond, halogen, C1-4 alkyl, O, S, SO2, CO or CS and X1, X2, X3 and X4 are optionally substituted by 9 specific substituents or one can be nitrogen. Compositions comprising a carrier and at least one compound of formula (I) are also provided. Further provided are methods of treating tyrosine kinase-associated disease states by administering a compound of formula (I) and methods of suppressing the immune system of a subject by administering a compound of formula (I).

  本发明涉及一种通式（I）的化合物或药物可接受的前药、盐、水合物、溶剂物、晶体形式或其对映体，其中A代表多种含氮杂环的六元环，Q是键，卤素，C1-4烷基，O，S，SO2，CO或CS，X1、X2、X3和X4可以选择性地被9种特定的取代基取代，或者其中一个可以是氮。还提供了包含载体和至少一种通式（I）的化合物的组合物。进一步提供了通过给予通式（I）的化合物治疗酪氨酸激酶相关疾病状态的方法，以及通过给予通式（I）的化合物抑制主体的免疫系统的方法。