N1-(2-chloro-5-fluoropyrimidin-4-yl)benzene-1,2-diamine | 1187344-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N1-(2-chloro-5-fluoropyrimidin-4-yl)benzene-1,2-diamine
• 英文别名: 2-N-(2-chloro-5-fluoropyrimidin-4-yl)benzene-1,2-diamine
• CAS: 1187344-31-5
• 化学式: C₁₀H₈ClFN₄
• 分子量: 238.652
• InChiKey: OVBYMUIPYKOOMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 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：
  63.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N1-(2-chloro-5-fluoropyrimidin-4-yl)benzene-1,2-diamine 在 甲基磺酰氯 作用下， 以 吡啶 为溶剂， 以72%的产率得到N-(2-((2-chloro-5-fluoropyrimidin-4-yl)amino)phenyl)methanesulfonamide
  参考文献：
  名称：

  [EN] USE OF LRRK2 INHIBITORS FOR NEURODEGENERATIVE DISEASES
  [FR] UTILISATION D'INHIBITEURS DE LRRK2 POUR MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  公开号：

  WO2009127642A3
• 作为产物：
  描述：

  邻苯二胺 、 2,4-二氯-5-氟嘧啶 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 以84%的产率得到N1-(2-chloro-5-fluoropyrimidin-4-yl)benzene-1,2-diamine
  参考文献：
  名称：

  [EN] SERINE/THREONINE KINASE INHIBITORS
  [FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASES

  摘要：

  具有化学式（I）的化合物，其中R1、R2、R3和X的定义如本文所述，是Ⅱ类PAK激酶的抑制剂。还公开了限制细胞运动和转移的组合物和方法。

  公开号：

  WO2014170421A1

文献信息

• [EN] SULFONAMIDES AS ZAP-70 INHIBITORS<br/>[FR] SULFONAMIDES EN TANT QU'INHIBITEURS DE ZAP-70
  申请人：CELLZOME LTD

  公开号：WO2009112490A1

  公开（公告）日：2009-09-17

  The invention relates to compounds of formula (I), wherein R1 to R9 and R4a have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of ZAP-70 for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immuno logically- mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及公式（I）的化合物，其中R1至R9和R4a的含义如描述和权利要求中所述。所述化合物可用作ZAP-70的抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫学介导的疾病。本发明还涉及包括所述化合物的制药组合物，以及作为药物的使用和制备这种化合物。
• [EN] ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS<br/>[FR] COMPOSÉS DE PYRIMIDINE ORTHO-SUBSTITUÉS EN TANT QU'INHIBITEURS DE JAK
  申请人：CELLZOME LTD

  公开号：WO2011029807A1

  公开（公告）日：2011-03-17

  The present invention relates to compounds of formula (I), wherein X1 to X3, R, R2 to R7 and AA have the meaning as cited in the description and the claims. Said compounds are useful as JAK inhibitors for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及化合物的结构式（I），其中X1到X3，R，R2到R7和AA的含义如描述和权利要求中所述。所述化合物可用作JAK抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导的疾病。本发明还涉及包括所述化合物的药物组合物、该类化合物的制备以及用作药物的用途。
• FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS
  申请人：Harrison Richard John

  公开号：US20120040955A1

  公开（公告）日：2012-02-16

  The invention relates to compounds of formula (I) wherein AA, R 2 to R 7 and X 1 to X 3 have the meaning as cited in the description and the claims. Said compounds are useful as selective inhibitors of JAK3 over JAK2 for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  该发明涉及具有以下化学式（I）的化合物，其中AA，R2至R7和X1至X3的含义如描述和权利要求中所述。所述化合物可用作选择性JAK3抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导疾病。该发明还涉及包括所述化合物的药物组合物、该化合物的制备以及用作药物的用途。
• ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS
  申请人：Harrison Richard John

  公开号：US20120172385A1

  公开（公告）日：2012-07-05

  The invention relates to compounds of formula (I) wherein X 1 to X 3 , R, R 2 to R 7 and AA have the meaning as cited in the description and the claims. Said compounds are useful as JAK inhibitors for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及公式(I)的化合物，其中X1至X3、R、R2至R7和AA的含义如说明书和权利要求中所述。所述化合物可用作JAK抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导疾病。本发明还涉及包括上述化合物的制药组合物、制备这些化合物以及用作药物的用途。
• [EN] HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS<br/>[FR] HÉTÉROCYCLYLAMINOPYRIMIDINES SERVANT D'INHIBITEURS DE KINASES
  申请人：CELLZOME LTD

  公开号：WO2010146133A1

  公开（公告）日：2010-12-23

  The invention relates to compounds of formula (I), wherein R1 to R6 and T0 have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of ZAP-70, Syk or JAK3 for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及公式(I)的化合物，其中R1至R6和T0的含义如所述和权利要求中所述。所述化合物可用作ZAP-70、Syk或JAK3的抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导疾病。本发明还涉及包括所述化合物的制药组合物，以及作为药物的用途和制备该类化合物的方法。