2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: 2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: CXLKROOPHWDLEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine 在 N-碘代丁二酰亚胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以825 mg的产率得到3-Iodo-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
  参考文献：
  名称：

  EP3351533

  摘要：

  公开号：
• 作为产物：
  描述：

  1,4-二溴丁烷 、 3-甲基-2-吡唑啉-5-酮 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.5h， 以55%的产率得到2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
  参考文献：
  名称：

  Phase-Transfer Catalyzed Alkylation and Cycloalkylation of 3-Substituted-1H-pyrazol-2-in-5-ones in the Absence or Presence of Carbon Disulphide

  摘要：

  PTC-alkylation of 3-substituted-1H-pyrazol-2-in-5-ones by different organohalogen reagents at 25degreesC in the presence of tetrabutylammonium bromide as-catalyst was investigated either in the absence or presence of CS2. This work aims to study the comparative reactivity of N-versus O-versus C-alkylation and cycloalkylation.

  DOI：

  10.1080/104265090517208

文献信息

• Biaryl derivative and medicine containing same
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：US10647675B2

  公开（公告）日：2020-05-12

  Provided is a compound showing excellent Antifungal activity against Trichophyton fungus, which is a major causative microorganism of superficial mycosis, and high effectiveness on diseases caused by Trichophyton fungi. A biaryl derivative represented by the formula (I) or a salt thereof: wherein ring A is an optionally substituted phenyl, or an optionally substituted 5- or 6-membered ring heteroaryl (ring A may be further condensed to form an optionally substituted fused ring); Q is CH2, C═O, NH, O, S or the like; X1, X2 and X3 are CR1 or N; Y is CH or N; Z is CR2b or N; R2a and R2b are each a hydrogen atom, a halogen atom, an optionally substituted C1-C6 alkyl group, a C1-C6 haloalkyl group or the like; R2a and R2b may form, together with carbon atoms bonded thereto, an optionally substituted carbocycle, or an optionally substituted heterocycle.

  本发明提供了一种化合物，该化合物对毛癣菌具有优异的抗真菌活性，而毛癣菌是浅部真菌病的主要致病微生物，该化合物对毛癣菌引起的疾病具有很高的疗效。一种由式（I）代表的双芳基衍生物或其盐： 其中环 A 是任选取代的苯基，或任选取代的 5 或 6 元环杂芳基（环 A 可进一步缩合形成任选取代的融合环）；Q 是 CH2、C═O、NH、O、S 或类似物；X1、X2 和 X3 是 CR1 或 N；Y 是 CH 或 N；Z 是 CR2b 或 N；R2a 和 R2b 各为氢原子、卤素原子、任选取代的 C1-C6 烷基、C1-C6 卤代烷基或类似基团；R2a 和 R2b 可与其键合的碳原子一起形成任选取代的碳环或任选取代的杂环。
• JP2018145180A5
  申请人：——

  公开号：JP2018145180A5

  公开（公告）日：2018-09-20
• SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY
  申请人：Novartis AG

  公开号：EP3697758B1

  公开（公告）日：2022-07-06
• BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：US20190055199A1

  公开（公告）日：2019-02-21

  Provided is a compound showing excellent Antifungal activity against Trichophyton fungus, which is a major causative microorganism of superficial mycosis, and high effectiveness on diseases caused by Trichophyton fungi. A biaryl derivative represented by the formula (I) or a salt thereof: wherein ring A is an optionally substituted phenyl, or an optionally substituted 5- or 6-membered ring heteroaryl (ring A may be further condensed to form an optionally substituted fused ring); Q is CH 2 , C═O, NH, O, S or the like; X 1 , X 2 and X 3 are CR 1 or N; Y is CH or N; Z is CR 2b or N; R 2a and R 2b are each a hydrogen atom, a halogen atom, an optionally substituted C 1 -C 6 alkyl group, a C 1 -C 6 haloalkyl group or the like; R 2a and R 2b may form, together with carbon atoms bonded thereto, an optionally substituted carbocycle, or an optionally substituted heterocycle.
• [EN] BENZENESULFONAMIDE COMPOUNDS AS EDG-1 ANTAGONISTS USEFUL IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS DE BENZÈNESULFONAMIDE UTILISÉS COMME ANTAGONISTES DE EDG-1 DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2008059238A1

  公开（公告）日：2008-05-22

  [EN] This invention relates to novel compounds of formula (I) and to their pharmaceutical compositions and to their methods of use. These novel compounds possess Edg-1 antagonistic activity and are accordingly useful in the treatment and/or prophylaxis of cancer.
  [FR] Cette invention concerne de nouveaux composés de formule (I), leurs compositions pharmaceutiques et leurs procédés d'utilisation. Ces nouveaux composés possèdent une activité antagoniste de Edg-1 et s'utilisent par conséquent dans le traitement et/ou la prophylaxie du cancer.