2-methoxy-5-(pentafluorosulfanyl)benzonitrile | 1240256-84-1

• 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: 2-methoxy-5-(pentafluorosulfanyl)benzonitrile
• 英文别名: 2-Methoxy-5-(pentafluorosulfur)benzonitrile；2-methoxy-5-(pentafluoro-λ6-sulfanyl)benzonitrile
• CAS: 1240256-84-1
• 化学式: C₈H₆F₅NOS
• 分子量: 259.2
• InChiKey: PJEIIZOKLWCTDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-methoxy-5-(pentafluorosulfanyl)benzonitrile 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以96%的产率得到2-methoxy-5-(pentafluorosulfanyl)benzaldehyde
  参考文献：
  名称：

  [EN] COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF
  [FR] COMPOSÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE -1 ET LEURS UTILISATIONS

  摘要：

  本发明涉及化合物的公式（A），作为NK-1受体拮抗剂，以及它们的制备和用途，并进一步涉及包含这些化合物的药物组合物及其用途作为功能失调的谷氨酸传递调节剂。本发明还涉及这些化合物或药物组合物在治疗或预防与人类NK-1受体相关的某些疾病和疾病中的用途。 (A)

  公开号：

  WO2020019247A1
• 作为产物：
  描述：

  五氟化(4-硝基苯基)硫 在 溴 、 溶剂黄146 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 2-methoxy-5-(pentafluorosulfanyl)benzonitrile
  参考文献：
  名称：

  [EN] COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF
  [FR] COMPOSÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE -1 ET LEURS UTILISATIONS

  摘要：

  本发明涉及化合物的公式（A），作为NK-1受体拮抗剂，以及它们的制备和用途，并进一步涉及包含这些化合物的药物组合物及其用途作为功能失调的谷氨酸传递调节剂。本发明还涉及这些化合物或药物组合物在治疗或预防与人类NK-1受体相关的某些疾病和疾病中的用途。 (A)

  公开号：

  WO2020019247A1

文献信息

• Compounds as neurokinin-1 receptor antagonists and uses thereof
  申请人：XW LABORATORIES INC.

  公开号：US11149006B2

  公开（公告）日：2021-10-19

  The present invention relates compounds of Formula (A) as NK-1 receptor antagonists, as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses as modulators of dysfunctional glutamate transmission. The present invention also relates to the uses of the compounds or pharmaceutical compositions in treating or preventing certain disorders and diseases which relate to NK-1 receptor in humans. More specifically, the compounds and/or pharmaceutical compositions of the present invention are believed to potentially offer therapeutic benefits to patients who suffer, among others, chemotherapy-induced nausea and vomit (CINV) and/or post-operative nausea and vomit (PONV).

  本发明涉及作为NK-1受体拮抗剂的式(A)化合物及其制备方法和用途，还涉及包含这些化合物的药物组合物及其作为谷氨酸传递功能障碍调节剂的用途。本发明还涉及这些化合物或药物组合物在治疗或预防与人类 NK-1 受体有关的某些失调和疾病中的用途。更具体地说，本发明的化合物和/或药物组合物被认为可为化疗引起的恶心和呕吐（CINV）和/或术后恶心和呕吐（PONV）等患者提供潜在的治疗益处。
• COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF
  申请人：XW LABORATORIES INC.

  公开号：US20200239416A1

  公开（公告）日：2020-07-30

  The present invention relates compounds of Formula (A) as NK-1 receptor antagonists, as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses as modulators of dysfunctional glutamate transmission. The present invention also relates to the uses of the compounds or pharmaceutical compositions in treating or preventing certain disorders and diseases which relate to NK-1 receptor in humans. More specifically, the compounds and/or pharmaceutical compositions of the present invention are believed to potentially offer therapeutic benefits to patients who suffer, among others, chemotherapy-induced nausea and vomit (CINV) and/or post-operative nausea and vomit (PONV).
• [EN] COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF<br/>[FR] COMPOSÉS À UTILISER EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE-1 ET LEURS UTILISATIONS
  申请人：XW LAB INC

  公开号：WO2020020189A1

  公开（公告）日：2020-01-30

  The present invention relates compounds of Formula (A) as NK-1 receptor antagonists, as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses as modulators of dysfunctional glutamate transmission. The present invention also relates to the uses of the compounds or pharmaceutical compositions in treating or preventing certain disorders and diseases which relate to NK-1 receptor in humans. More specifically, the compounds and /or pharmaceutical compositions of the present invention are believed to potentially offer therapeutic benefits to patients who suffer, among others, chemotherapy-induced nausea and vomit (CINV) and /or post-operative nausea and vomit (PONV).
• [EN] COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF<br/>[FR] COMPOSÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE -1 ET LEURS UTILISATIONS
  申请人：XW LAB INC

  公开号：WO2020019247A1

  公开（公告）日：2020-01-30

  The present invention relates compounds of Formula (A) as NK-1 receptor antagonists, as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses as modulators of dysfunctional glutamate transmission. The present invention also relates to the uses of the compounds or pharmaceutical compositions in treating or preventing certain disorders and diseases which relate to NK-1 receptor in humans. (A)

  本发明涉及化合物的公式（A），作为NK-1受体拮抗剂，以及它们的制备和用途，并进一步涉及包含这些化合物的药物组合物及其用途作为功能失调的谷氨酸传递调节剂。本发明还涉及这些化合物或药物组合物在治疗或预防与人类NK-1受体相关的某些疾病和疾病中的用途。 (A)