N-methyl-1-(3-((4-nitro-1H-pyrazol-1-yl)methyl)oxetan-3-yl)methanamine | 1296310-32-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N-methyl-1-(3-((4-nitro-1H-pyrazol-1-yl)methyl)oxetan-3-yl)methanamine
• 英文别名: N-methyl-1-[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanamine
• CAS: 1296310-32-1
• 化学式: C₉H₁₄N₄O₃
• 分子量: 226.235
• InChiKey: OBEGQWGIRVQDAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-methyl-1-(3-((4-nitro-1H-pyrazol-1-yl)methyl)oxetan-3-yl)methanamine 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以100%的产率得到2,2,2-trifluoro-N-methyl-N-((3-((4-nitro-1H-pyrazol-1-yl)methyl)oxetan-3-yl)methyl)acetamide
  参考文献：
  名称：

  [EN] HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS
  [FR] ANALOGUES D'HÉTÉROCYCLYL PYRAZOLOPYRIMIDINE EN TANT QU'INHIBITEURS DE JAK

  摘要：

  本发明涉及式(I)的化合物，其中X1至X5，Y，Z1至Z3和R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性疾病。该发明还涉及包括所述化合物的药物组合物，以及制备这类化合物以及用作药物的用途。

  公开号：

  WO2011048082A1

文献信息

• HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS
  申请人：Ramsden Nigel

  公开号：US20120252779A1

  公开（公告）日：2012-10-04

  The invention relates to compounds of formula (I) wherein X 1 to X 5 , Y, Z 1 to Z 3 , and R 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X5，Y，Z1至Z3和R的含义如所述及权利要求中所述。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性疾病。本发明还涉及包括所述化合物的制药组合物、制备这种化合物以及用作药物的用途。
• HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS
  申请人：Bell Kathryn

  公开号：US20130190292A1

  公开（公告）日：2013-07-25

  The present invention relates to compounds of formula (I) wherein X 1 to X 5 , Y, Z 1 to Z 3 , and R 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.

  本发明涉及式（I）的化合物，其中X1至X5，Y，Z1至Z3和R的含义如所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制药组合物，以及作为药物的使用和制备这种化合物。
• Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors
  申请人：Bell Kathryn

  公开号：US09040545B2

  公开（公告）日：2015-05-26

  The present invention relates to compounds of formula (I) wherein X1 to X5, Y, Z1 to Z3, and R 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.

  本发明涉及式（I）化合物，其中X1至X5，Y，Z1至Z3和R的含义如所述及索权要求。该化合物可用作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制药组合物，以及作为药物的使用和制备这种化合物。
• Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors
  申请人：Ramsden Nigel

  公开号：US09242987B2

  公开（公告）日：2016-01-26

  The invention relates to compounds of formula (I) wherein X1 to X5, Y, Z1 to Z3, and R 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.

  本发明涉及式（I）的化合物，其中X1至X5，Y，Z1至Z3和R的含义如所述和权利要求中引用的。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制药组合物，以及作为药物的使用和制备这些化合物。
• US9040545B2
  申请人：——

  公开号：US9040545B2

  公开（公告）日：2015-05-26