1H-Pyrrole, 2-benzo[b]thien-2-yl- | 1451210-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1H-Pyrrole, 2-benzo[b]thien-2-yl-
• 英文别名: 2-(1-benzothiophen-2-yl)-1H-pyrrole
• CAS: 1451210-53-9
• 化学式: C₁₂H₉NS
• 分子量: 199.27
• InChiKey: YUIUEMIGNBFKKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS<br/>[FR] COMPOSÉS DE TYPE ACIDE BICYCLOHÉTÉROARYL-HÉTÉROARYL-BENZOÏQUE UTILISÉS COMME AGONISTES DE RÉCEPTEURS BÊTA DE L'ACIDE RÉTINOÏQUE (RARΒ)
  申请人：KING S COLLEGE LONDON

  公开号：WO2016097004A1

  公开（公告）日：2016-06-23

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain bicycloheteroaryl-heteroaryl-benzoic acid compounds of the following formula (for convenience, collectively referred to herein as "BHBA compounds"), which, inter alia, are (selective) retinoic acid receptor beta (RARβ) (e.g., RARβ2) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARβ (e.g., RARβ2), to cause or promote neurite development, neurite outgrowth, and/or neurite regeneration, and in the treatment of diseases and conditions that are mediated by RARβ (e.g., RARβ2), that are ameliorated by the activation of RARβ (e.g., RARβ2), etc., including, e.g., neurological injuries such as spinal cord injuries.

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些双环杂环芳基-杂环芳基-苯甲酸化合物（为方便起见，统称为“BHBA化合物”），它们是（选择性）视黄酸受体β（RARβ）（例如，RARβ2）激动剂。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体内外（选择性）激活RARβ（例如，RARβ2），导致或促进神经突起发育、神经突起和/或神经再生，以及治疗由RARβ（例如，RARβ2）介导的疾病和症状，通过RARβ（例如，RARβ2）激活而得到改善等，包括神经损伤如脊髓损伤。
• [EN] CRYSTALLINE FORMS OF 4-(5-(4,7-DIMETHYLBENZOFURAN-2-YL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID AND PROCESSES FOR THEIR PREPARATION<br/>[FR] FORMES CRISTALLINES DE L'ACIDE 4-(5-(4,7-DIMÉTHYLBENZOFURAN-2-YL)-1,2,4-OXADIAZOL-3-YL) BENZOÏQUE ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：KING'S COLLEGE LONDON

  公开号：WO2017220446A1

  公开（公告）日：2017-12-28

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to crystalline forms of 4-(5-(4,7-dimethylbenzofuran-2-yl)-1,2,4-oxadiazol-3-yl)benzoic acid (referred to herein as "BHBA-001"), which, inter alia, is a (selective) retinoic acid receptor beta (RARβ) (e.g., RARβ2) agonist. The present invention also pertains to pharmaceutical compositions comprising such crystalline forms, and the use of such crystalline forms and compositions, both in vitro and in vivo, to (selectively) activate RARβ (e.g., RARβ2), to cause or promote neurite development, neurite outgrowth, and/or neurite regeneration, and in the treatment of diseases and conditions that are mediated by RARβ (e.g., RARβ2), that are ameliorated by the activation of RARβ (e.g., RARβ2), etc., including, e.g., neurological injuries such as spinal cord injuries.

  本发明一般涉及治疗化合物领域，更具体地涉及4-(5-(4,7-二甲基苯并呋喃-2-基)-1,2,4-噁二唑-3-基)苯甲酸的结晶形式（以下简称为"BHBA-001"），该化合物是一种（选择性）视黄酸受体β（RARβ）（例如RARβ2）激动剂。本发明还涉及包含这种结晶形式的药物组合物，以及利用这种结晶形式和组合物在体内外（选择性地）激活RARβ（例如RARβ2），促进神经元发育、神经元生长和/或神经元再生，以及治疗通过RARβ（例如RARβ2）介导的疾病和症状，通过激活RARβ（例如RARβ2）得到改善等。这些疾病和症状包括神经系统损伤如脊髓损伤。
• Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists
  申请人：King's College London

  公开号：US10385044B2

  公开（公告）日：2019-08-20

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain bicycloheteroaryl-heteroaryl-benzoic acid compounds of the following formula (for convenience, collectively referred to herein as “BHBA compounds”), which, inter alia, are (selective) retinoic acid receptor beta (RARβ) (e.g., RARβ2) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARβ (e.g., RARPβ2), to cause or promote neurite development, neurite outgrowth, and/or neurite regeneration, and in the treatment of diseases and conditions that are mediated by RARβ (e.g., RARβ2), that are ameliorated by the activation of RARβ (e.g., RARβ2), etc., including, e.g., neurological injuries such as spinal cord injuries.

  本发明一般涉及治疗化合物领域，更具体地说，涉及下式的某些双环杂芳基-杂芳基苯甲酸化合物（为方便起见，本文统称为 "BHBA化合物"），它们是（选择性）视黄酸受体β（RARβ）（如RARβ2）激动剂。本发明还涉及包含此类化合物的药物组合物，以及在体外和体内使用此类化合物和组合物来（选择性地）激活 RARβ（如 RARPβ2）、RARPβ2），引起或促进神经元发育、神经元生长和/或神经元再生，以及治疗由 RARβ（如 RARβ2）介导的、通过激活 RARβ（如 RARβ2）而改善的疾病和病症等，包括神经损伤，如脊髓损伤。
• Crystalline forms of 4-(5-(4,7-dimethylbenzofuran-2-yl)-l,2,4-oxadiazol-3-yl)benzoic acid and processes for their preparation
  申请人：King's College London

  公开号：US10870644B2

  公开（公告）日：2020-12-22

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to crystalline forms of 4-(5-(4,7-dimethylbenzofuran-2-yl)-1,2,4-oxadiazol-3-yl)benzoic acid (referred to herein as “BHBA-001”), which, inter alia, is a (selective) retinoic acid receptor beta (RARβ) (e.g., RARβ2) agonist. The present invention also pertains to pharmaceutical compositions comprising such crystalline forms, and the use of such crystalline forms and compositions, both in vitro and in vivo, to (selectively) activate RARβ (e.g., RARβ2), to cause or promote neurite development, neurite outgrowth, and/or neurite regeneration, and in the treatment of diseases and conditions that are mediated by RARβ(e.g., RARβ2), that are ameliorated by the activation of RARβ (e.g., RARβ2), etc., including, e.g., neurological injuries such as spinal cord injuries.

  本发明一般涉及治疗化合物领域，更具体地说，涉及 4-(5-(4,7-二甲基苯并呋喃-2-基)-1,2,4-恶二唑-3-基)苯甲酸的结晶形式（本文称为 "BHBA-001"），它是一种（选择性）维甲酸受体 beta（RARβ）（例如 RARβ2）激动剂。本发明还涉及包含这种结晶形式的药物组合物，以及在体外和体内使用这种结晶形式和组合物来（选择性地）激活 RARβ（如 RARβ2）、RARβ2），引起或促进神经元发育、神经元生长和/或神经元再生，以及治疗由 RARβ（如 RARβ2）介导的、通过激活 RARβ（如 RARβ2）而改善的疾病和病症等，包括神经损伤，如脊髓损伤。
• BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RAR ) AGONISTS
  申请人：King's College London

  公开号：EP3233842A1

  公开（公告）日：2017-10-25