5-fluoro-indan-2-carboxylic acid | 628732-07-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-fluoro-indan-2-carboxylic acid
• 英文别名: 5-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid
• CAS: 628732-07-0
• 化学式: C₁₀H₉FO₂
• 分子量: 180.179
• InChiKey: JPFRESMYTROPCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-fluoro-indan-2-carboxylic acid 在 戴斯-马丁氧化剂 、 diborane(6) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 5-fluoro-indan-2-carbaldehyde
  参考文献：
  名称：

  [EN] GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES
  [FR] INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE POUR LE TRAITEMENT DE MALADIES

  摘要：

  本文描述了一种I式化合物，制备这种化合物的方法，含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与葡萄糖酰胺合成酶（GCS）相关的疾病或症状的方法。

  公开号：

  WO2015042397A1
• 作为产物：
  描述：

  5-fluoro-indan-2-carboxylic acid methyl ester 以 溶剂黄146 为溶剂， 生成 5-fluoro-indan-2-carboxylic acid
  参考文献：
  名称：

  SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS

  摘要：

  本文披露了治疗化合物，以及与之相关的方法、组合物和药物。

  公开号：

  US20080255239A1

文献信息

• [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS<br/>[FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C
  申请人：ALLERGAN INC

  公开号：WO2003099795A1

  公开（公告）日：2003-12-04

  Compounds of Formula (I): where X is S and the variables have the meaning defined in the specification are specific or selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula (I) are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha2B adrenergic receptors. Compounds of Formula (I) where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。
• Substituted fluoroethyl ureas as alpha 2 adrenergic agents
  申请人：Allergan, Inc.

  公开号：US07598417B2

  公开（公告）日：2009-10-06

  The present patent application is directed to novel fluoroethyl urea compounds and compositions and their therapeutic use in the treatment of pain and other conditions.

  本专利申请涉及新型氟乙基脲化合物和组合物，以及它们在治疗疼痛和其他疾病方面的治疗用途。
• Glucosylceramide synthase inhibitors for the treatment of diseases
  申请人：BIOMARIN PHARMACEUTICAL INC.

  公开号：US10227323B2

  公开（公告）日：2019-03-12

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

  本文描述了式 I 的化合物、制造此类化合物的方法、含有此类化合物的药物组合物和药物，以及使用此类化合物治疗或预防与葡萄糖酰胺合成酶 (GCS) 相关的疾病或病症的方法。
• Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs
  作者：Yimin Qian、Karin Conde-Knape、Shawn D. Erickson、Fiorenza Falcioni、Paul Gillespie、Irina Hakimi、Francis Mennona、Yonglin Ren、Hamid Salari、Sung-Sau So、Jefferson W. Tilley

  DOI：10.1016/j.bmcl.2013.05.017

  日期：2013.7

  Benzimidazole and indane are the two key fragments in our potent and selective MCH-1 receptor (MCHR1) antagonists. To identify novel linkers connecting the two fragments, we investigated diamino-cycloalkane-derived analogs and discovered highly potent antagonists with cis-1,4-diaminocyclohexane as a unique spacer in this chemical class. Structural overlay suggested that cis-1-substituted-4-aminocyclohexane functions as a bioisostere of 4-substituted-piperidine and that the active conformation adopts a U-shaped orientation. (C) 2013 Elsevier Ltd. All rights reserved.
• GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES
  申请人：BIOMARIN PHARMACEUTICAL INC.

  公开号：US20160229830A1

  公开（公告）日：2016-08-11

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).