2-nitro-5-(pentafluorosulfanyl)phenol | 1329120-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-nitro-5-(pentafluorosulfanyl)phenol
• 英文别名: 2-nitro-5-(pentafluoro-λ⁶-sulfaneyl)phenol；2-Nitro-5-(pentafluorosulfanyl)phenol；2-nitro-5-(pentafluoro-λ6-sulfanyl)phenol
• CAS: 1329120-21-9
• 化学式: C₆H₄F₅NO₃S
• 分子量: 265.161
• InChiKey: FVDVAGIMBHJLDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-nitro-5-(pentafluorosulfanyl)phenol 在 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以81%的产率得到2-氨基-5-(五氟硫烷基)苯酚
  参考文献：
  名称：

  通过氢的取代亲核取代使硝基-（五氟硫烷基）苯羟基化

  摘要：

  对位和间位硝基- （五氟硫烷基）苯与在存在过氧化氢异丙苯的反应，阴离子吨-BuOK在液氨以形成硝基- （五氟硫烷基）酚。在阮内镍的存在下用氢还原它们可提供氨基-（五氟硫烷基）苯酚。

  DOI：

  10.1016/j.tetlet.2011.06.011
• 作为产物：
  描述：

  五氟化(4-硝基苯基)硫 在 过氧化氢异丙苯 、 potassium tert-butylate 、 氨 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以76%的产率得到2-nitro-5-(pentafluorosulfanyl)phenol
  参考文献：
  名称：

  通过氢的取代亲核取代使硝基-（五氟硫烷基）苯羟基化

  摘要：

  对位和间位硝基- （五氟硫烷基）苯与在存在过氧化氢异丙苯的反应，阴离子吨-BuOK在液氨以形成硝基- （五氟硫烷基）酚。在阮内镍的存在下用氢还原它们可提供氨基-（五氟硫烷基）苯酚。

  DOI：

  10.1016/j.tetlet.2011.06.011

文献信息

• [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)
• [EN] BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF<br/>[FR] DÉRIVÉS HÉTÉROARYLES BICYCLIQUES, PRÉPARATION ET UTILISATIONS ASSOCIÉES
  申请人：XW LAB INC

  公开号：WO2018176343A1

  公开（公告）日：2018-10-04

  Compounds of Formula (A), where the definition of the variables are as described in the description, as well as their preparation and uses, and pharmaceutical compositions comprising these compounds and their uses as modulators of dysfunctional glutamate transmission are provided. Uses of the compounds or pharmaceutical compositions in treating or preventing certain neurological and psychiatric disorders and diseases as well as cancer in humans are also provided.

  提供了Formula (A)的化合物，其中变量的定义如描述中所述，以及它们的制备和用途，以及包含这些化合物的药物组合物及其用途作为功能性谷氨酸传递调节剂。还提供了这些化合物或药物组合物在治疗或预防人类某些神经和精神疾病以及癌症中的用途。
• Bicyclic heteroaryl derivatives and preparation and uses thereof
  申请人：XW LABORATORIES INC.

  公开号：US10640476B2

  公开（公告）日：2020-05-05

  The present invention relates compounds of Formula (A), 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 uses of the compounds or pharmaceutical compositions in treating or preventing certain neurological and psychiatric disorders and diseases as well as cancer in humans.

  本发明涉及式（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某些神经和精神疾病以及人类癌症方面的用途。
• 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。
• BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF
  申请人：XW LABORATORIES INC.

  公开号：US20200181102A1

  公开（公告）日：2020-06-11

  The present invention relates compounds of Formula (A), 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 uses of the compounds or pharmaceutical compositions in treating or preventing certain neurological and psychiatric disorders and diseases as well as cancer in humans.