5-(hydroxymethyl)-2-isopropoxybenzonitrile | 1206124-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(hydroxymethyl)-2-isopropoxybenzonitrile
• 英文别名: 5-(hydroxymethyl)-2-propan-2-yloxybenzonitrile
• CAS: 1206124-22-2
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: KCFIKXHVSCPGQF-UHFFFAOYSA-N

物化性质

• 沸点：
  355.7±27.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(hydroxymethyl)-2-isopropoxybenzonitrile 在 氯化亚砜 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 0.33h， 生成 Ethyl 3-[4-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]indazol-1-yl]propanoate
  参考文献：
  名称：

  EP3892616

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氰基-4-异丙氧基苯甲酸 在 草酰氯 、 N,N-二甲基甲酰胺 、 sodium tetrahydroborate 作用下， 以 二氯甲烷 、 四氢呋喃 、 甲醇 为溶剂， 反应 2.5h， 生成 5-(hydroxymethyl)-2-isopropoxybenzonitrile
  参考文献：
  名称：

  EP3892616

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED 1,2,3,4- TETRAHYDROCYCLOPENTA[b]INDOL-3-YL) ACETIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE L'ACIDE 1,2,3,4-TÉTRAHYDROCYCLOPENTA[B]INDOL-3-YLE ACÉTIQUE SUBSTITUÉ UTILISÉS DANS LE TRAITEMENT DES MALADIES AUTO-IMMUNES ET INFLAMMATOIRES
  申请人：ARENA PHARM INC

  公开号：WO2010011316A1

  公开（公告）日：2010-01-28

  The present invention relates to certain substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 receptor-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及某些替代的1,2,3,4-四氢环戊基吲哚-3-基乙酸衍生物的化合物（Ia）及其药用盐，这些化合物展示出有用的药理特性，例如作为S1P1受体的激动剂。本发明还提供了含有该发明化合物的药物组合物，以及使用该发明化合物和组合物治疗S1P1受体相关疾病的方法，例如银屑病、类风湿关节炎、克罗恩病、移植排斥、多发性硬化症、系统性红斑狼疮、溃疡性结肠炎、I型糖尿病、痤疮、微生物感染或疾病以及病毒感染或疾病。
• 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF
  申请人：Harada Hironori

  公开号：US20110230463A1

  公开（公告）日：2011-09-22

  [Object] Provided is a compound which has an excellent S1P 1 agonist action, and is useful particularly as an active ingredient for an agent for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells. [Means for Solution] According to the present invention, a 2H-chromene compound or a derivative thereof which has an excellent S1P 1 agonist action, and is useful particularly as an active ingredient of an agent for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells can be provided. The 2H-chromene compound and a derivative thereof which are the compounds of the present invention have an S1P 1 agonist action, and can be used particularly for prevention and/or treatment of a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells.

  【物体】提供了一种化合物，它具有出色的S1P1激动剂作用，特别适用于作为预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或积累引起的疾病的活性成分。 【解决方案】根据本发明，可以提供一种具有出色S1P1激动剂作用的2H-香豆素化合物或其衍生物，特别适用于作为预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或积累引起的疾病的活性成分。本发明的2H-香豆素化合物及其衍生物具有S1P1激动剂作用，特别适用于预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或积累引起的疾病。
• SUBSTITUTED 1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOL-3-YL)ACETIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS
  申请人：Jones Robert M.

  公开号：US20110130409A1

  公开（公告）日：2011-06-02

  The present invention relates to certain substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 receptor-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及某些取代的1,2,3,4-四氢环戊[b]吲哚-3-基乙酸衍生物（Ia式）及其药学上可接受的盐，其具有有用的药理特性，例如作为S1P1受体激动剂。本发明还提供了含有该发明化合物的药物组合物，以及使用该化合物和组合物治疗S1P1受体相关疾病的方法，例如牛皮癣、类风湿性关节炎、克隆病、移植排斥、多发性硬化症、系统性红斑狼疮、溃疡性结肠炎、1型糖尿病、痤疮、微生物感染或疾病和病毒感染或疾病。
• SUBSTITUTED 1,2,3,4-TETRAHYDROCYCLOPENTA[b]INDOL-3-YL)ACETIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US20140038987A1

  公开（公告）日：2014-02-06

  The present invention relates to certain substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 receptor-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及某些取代的1,2,3,4-四氢环戊[b]吲哚-3-基)乙酸衍生物(Ia式)及其药学上可接受的盐，这些衍生物具有有用的药理学特性，例如作为S1P1受体的激动剂。本发明还提供了含有本发明化合物的药物组合物，并且提供了使用本发明化合物和组合物治疗S1P1受体相关疾病的方法，例如牛皮癣、类风湿性关节炎、克罗恩病、移植排斥、多发性硬化症、全身性红斑狼疮、溃疡性结肠炎、1型糖尿病、痤疮、微生物感染或疾病和病毒感染或疾病。
• Substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives useful in the treatment of autoimmune and inflammatory disorders
  申请人：Jones Robert M

  公开号：US08580841B2

  公开（公告）日：2013-11-12

  The present invention relates to certain substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives of Formula (Ia): and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 receptor-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及某些取代的1,2,3,4-四氢环戊[b]吲哚-3-基乙酸衍生物（Ia式）及其药学上可接受的盐，该衍生物具有有用的药理学特性，例如作为S1P1受体的激动剂。本发明还提供了含有该发明化合物的药物组合物，以及使用该化合物和组合物治疗S1P1受体相关疾病的方法，例如银屑病、类风湿性关节炎、克隆病、移植排斥、多发性硬化症、系统性红斑狼疮、溃疡性结肠炎、I型糖尿病、痤疮、微生物感染或疾病以及病毒感染或疾病。