2-(5,6,7,8-tetrahydro-naphthalen-1-ylcarbamoyl)-indan-2-carboxylic acid | 1092446-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-(5,6,7,8-tetrahydro-naphthalen-1-ylcarbamoyl)-indan-2-carboxylic acid
• 英文别名: 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-dihydroindene-2-carboxylic acid
• CAS: 1092446-05-3
• 化学式: C₂₁H₂₁NO₃
• 分子量: 335.403
• InChiKey: GCFWKDAGJGTYAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(ethoxycarbonyl)-2-(tert-butoxycarbonyl)indan 在 甲醇 、 lithium hydroxide 、 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 102.08h， 生成 2-(5,6,7,8-tetrahydro-naphthalen-1-ylcarbamoyl)-indan-2-carboxylic acid
  参考文献：
  名称：

  WO2008/151211

  摘要：

  公开号：

文献信息

• SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS
  申请人：CAULFIELD Thomas J.

  公开号：US20100113462A1

  公开（公告）日：2010-05-06

  The present invention relates to novel compounds of the formula I: wherein in any of its stereoisomeric forms or a mixture of stereoisomeric forms in any ratio, or a physiologically acceptable salt thereof, wherein the substituents are as described herein. The inventive compounds have CXCR5 inhibitory activity are particularly useful in treating or preventing various inflammatory diseases, such as rheumatoid arthritis, multiple sclerosis, lupus, Crohn's Disease, associated with the modulation of the human CXCR5 receptor.

  本发明涉及公式I的新化合物：其中在其任何立体异构形式或立体异构形式的混合物中以任何比例，或其生理上可接受的盐，其中取代基如此描述。这些创新化合物具有CXCR5抑制活性，特别适用于治疗或预防各种炎症性疾病，例如类风湿性关节炎，多发性硬化症，红斑狼疮，克罗恩病，与人类CXCR5受体调节相关。
• Substituted benzoylamino-indan-2-carboxylic acids and related compounds
  申请人：Caulfield Thomas Joseph

  公开号：US08569535B2

  公开（公告）日：2013-10-29

  The present invention relates to novel compounds of the formula Ia: in any of its stereoisomeric forms or a mixture of stereoisomeric forms in any ratio, or a physiologically acceptable salt thereof, wherein the substituents are as described herein. The inventive compounds have CXCR5 inhibitory activity, and are particularly useful in treating or preventing various inflammatory diseases, such as rheumatoid arthritis, multiple sclerosis, lupus, Crohn's Disease, associated with the modulation of the human CXCR5 receptor.

  本发明涉及公式Ia的新化合物：以其立体异构体形式或任何比例的立体异构体混合物或其生理上可接受的盐，其中取代基如本文所述。这些创新化合物具有CXCR5抑制活性，并且在治疗或预防各种炎症性疾病方面特别有用，例如类风湿性关节炎，多发性硬化症，狼疮，克隆氏病，与人类CXCR5受体调节有关。
• US8569535B2
  申请人：——

  公开号：US8569535B2

  公开（公告）日：2013-10-29
• [EN] SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS<br/>[FR] ACIDES BENZOYLAMINO-INDAN-2-CARBOXYLIQUES SUBSTITUÉS ET COMPOSÉS APPARENTÉS
  申请人：SANOFI AVENTIS

  公开号：WO2008151211A1

  公开（公告）日：2008-12-11

  [EN] The present invention relates to A compound of the formula Ia wherein in any of its stereoisomers forms or a mixture of stereoisomeric forms in any ratio, or a physiologically acceptable salt thereof, wherein the substituents are as described herein. The inventive compounds have CXCR5 inhibitory activity are particularly useful in treating or preventing various inflammatory diseases, such as rheumatoid arthritis, multiple sclerosis, lupus, Crohn's Disease, associated with the modulation of the human CXCR5 receptor.
  [FR] La présente invention concerne un composé A de formule Ia sous l'une quelconque de ses formes stéréoisomères ou un mélange de formes stéréoisomères sous un rapport quelconque, ou un sel physiologiquement acceptable de celui-ci, les substituants étant tels que décrits ici. Les composés inventifs ont une activité inhibitrice de CXCR5 et sont particulièrement utiles pour traiter ou prévenir diverses maladies inflammatoires, telles que la polyarthrite rhumatoïde, la sclérose en plaques, le lupus, la maladie de Crohn, associées à la modulation du récepteur de CXCR5 humain.
• [EN] CXCR5 ANTAGONISTS AND METHODS OF TREATING DISEASES OR DISORDERS USING SAME<br/>[FR] ANTAGONISTES DE CXCR5 ET PROCÉDÉS DE TRAITEMENT DE MALADIES OU DE TROUBLES L'UTILISANT
  申请人：UNIV YALE

  公开号：WO2021202553A1

  公开（公告）日：2021-10-07

  The disclosure provides compounds, and compositions comprising such compounds, that can be used to treat CXCR5-expressing cancers, especially angioimmunoblastic T cell lymphoma (AICL) and/or cutaneous T cell lymphoma (CTCL).