2-(6-bromopyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(6-bromopyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• 英文别名: 2-Bromo-6-(hexafluoro-2-hydroxyprop-2-yl)pyridine
• 化学式: C₈H₄BrF₆NO
• 分子量: 324.02
• InChiKey: FVAAOCYFPRQZNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(6-bromopyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol 在 正丁基锂 、 palladium 10% on activated carbon 、 氢气 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 14.17h， 生成 2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-6-methoxy-5-morpholino-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis

  摘要：

  本发明涉及化合物、它们的合成以及它们作为Retinoic acid-related orphan核受体γt (RORγt)/RORγ的拮抗剂、逆向激动剂、调节剂和/或抑制剂的用途。本发明的化合物对调节RORγt)/RORγ活性以及治疗由RORγt)/RORγ介导的疾病或病况具有用处，例如与人类自身免疫疾病的免疫病理学相关的疾病状态，如多发性硬化症（MS）、类风湿关节炎（RA）、炎症性结肠炎、牛皮癣、慢性阻塞性肺病（COPD）、疼痛、肥胖、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。

  公开号：

  US20150072980A1
• 作为产物：
  描述：

  2,6-二溴吡啶 、 六氟丙酮 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.17h， 生成 2-(6-bromopyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
  参考文献：
  名称：

  Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis

  摘要：

  本发明涉及化合物、它们的合成以及它们作为Retinoic acid-related orphan核受体γt (RORγt)/RORγ的拮抗剂、逆向激动剂、调节剂和/或抑制剂的用途。本发明的化合物对调节RORγt)/RORγ活性以及治疗由RORγt)/RORγ介导的疾病或病况具有用处，例如与人类自身免疫疾病的免疫病理学相关的疾病状态，如多发性硬化症（MS）、类风湿关节炎（RA）、炎症性结肠炎、牛皮癣、慢性阻塞性肺病（COPD）、疼痛、肥胖、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。

  公开号：

  US20150072980A1

文献信息

• Bisarylcarbinol cinnamic acids as inhibitors of leukotriene biosynthesis
  申请人：Merck Frosst Canada, Inc.

  公开号：US05527827A1

  公开（公告）日：1996-06-18

  Compounds having the Formula I: R.sup.1 R.sup.2 C(OR.sup.3)--Ar.sup.1 --X--Ar.sup.2 --C(Ar.sup.3).dbd.CHCO.sub.2 H I are inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating angina, cerebral spasm, glomerular nephritis, hepatitis, endotoxemia, uveitis, and allograft rejection and in preventing the formation of atherosclerotic plaques.

  化学式为I的化合物：R.sup.1 R.sup.2 C(OR.sup.3)--Ar.sup.1 --X--Ar.sup.2 --C(Ar.sup.3).dbd.CHCO.sub.2 H I 是白三烯生物合成的抑制剂。这些化合物可用作抗哮喘、抗过敏、抗炎和细胞保护剂。它们还可用于治疗心绞痛、脑血管痉挛、肾小球肾炎、肝炎、内毒素血症、葡萄膜炎和移植排斥，并预防动脉粥样硬化斑块的形成。
• Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis
  申请人：Arrien Pharmaceuticals LLC

  公开号：US09359315B2

  公开（公告）日：2016-06-07

  The present invention is directed to compounds, their synthesis, and their use as antagonists, inverse agonists, modulators and or inhibitors of the Retinoic acid-related orphan nuclear receptor γt (RORγt)/RORγ. The compounds of the present invention are useful for modulating RORγt)/RORγ activity and for treating diseases or conditions mediated by RORγt)/RORγ such as for example, disease states associated with immunopathology of human autoimmune diseases such as Multiple Sclerosis (MS), Rheumatoid Arthritis (RA), Inflammatory Colitis, Psoriasis, COPD, Pain, Obesity, Diabetes, Dyslipidemia, Osteoporosis, Asthma, Neurodegenerative diseases and Cancer.

  本发明涉及化合物、它们的合成以及它们作为Retinoic acid-related orphan核受体γt（RORγt）/RORγ的拮抗剂、反向激动剂、调节剂和/或抑制剂的用途。本发明的化合物对于调节RORγt/RORγ活性以及治疗由RORγt/RORγ介导的疾病或病况非常有用，例如与人类自身免疫性疾病相关的疾病状态，如多发性硬化症（MS）、类风湿性关节炎（RA）、炎症性结肠病、牛皮癣、慢性阻塞性肺病、疼痛、肥胖症、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。
• PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS
  申请人：Arrien Pharmaceuticals LLC

  公开号：EP3680237A1

  公开（公告）日：2020-07-15

  The present invention is directed to the synthesis of compounds of formula (I) useful for modulating RORγt/RORγ activity and for treating diseases or conditions mediated by RORγt/RORγ and thus disease states associated with immunopathology of human autoimmune diseases such as Multiple Sclerosis (MS), Rheumatoid Arthritis (RA), Inflammatory Colitis, Psoriasis, COPD, Pain, Obesity, Diabetes, Dyslipidemia, Osteoporosis, Asthma, Neurodegenerative diseases and Cancer.

  本发明涉及式 (I) 化合物的合成，该化合物可用于调节 RORγt/RORγ 活性，治疗由 RORγt/RORγ 介导的疾病或病症，从而治疗与人类自身免疫性疾病免疫病理相关的疾病状态，如多发性硬化症 (MS)、类风湿性关节炎 (RA)、炎症性结肠炎、牛皮癣、慢性阻塞性肺病、疼痛、肥胖、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。
• Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis
  申请人：Arrien Pharmaceuticals LLC

  公开号：US10172866B2

  公开（公告）日：2019-01-08

  The present invention is directed to compounds, their synthesis, and their use as antagonists, inverse agonists, modulators and or inhibitors of the Retinoic acid-related orphan nuclear receptor γt (RORγt)/RORγ. The compounds of the present invention are useful for modulating RORγt)/RORγ activity and for treating diseases or conditions mediated by RORγt)/RORγ such as for example, disease states associated with immunopathology of human autoimmune diseases such as Multiple Sclerosis (MS), Rheumatoid Arthritis (RA), Inflammatory Colitis, Psoriasis, COPD, Pain, Obesity, Diabetes, Dyslipidemia, Osteoporosis, Asthma, Neurodegenerative diseases and Cancer.

  本发明涉及化合物、其合成及其作为视黄酸相关孤儿核受体γt（RORγt）/RORγ的拮抗剂、逆激动剂、调节剂和或抑制剂的用途。本发明的化合物可用于调节 RORγt)/RORγ 的活性，治疗由 RORγt)/RORγ 介导的疾病或病症，例如与人类自身免疫性疾病的免疫病理相关的疾病状态，如多发性硬化症 (MS)、类风湿性关节炎 (RA)、炎症性结肠炎、牛皮癣、慢性阻塞性肺病、疼痛、肥胖、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。
• Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis
  申请人：Arrien Pharmaceuticals LLC

  公开号：US10682358B2

  公开（公告）日：2020-06-16

  The present invention is directed to compounds, their synthesis, and their use as antagonists, inverse agonists, modulators and or inhibitors of the Retinoic acid-related orphan nuclear receptor γt (RORγt)/RORγ. The compounds of the present invention are useful for modulating RORγt)/RORγ activity and for treating diseases or conditions mediated by RORγt)/RORγ such as for example, disease states associated with immunopathology of human autoimmune diseases such as Multiple Sclerosis (MS), Rheumatoid Arthritis (RA), Inflammatory Colitis, Psoriasis, COPD, Pain, Obesity, Diabetes, Dyslipidemia, Osteoporosis, Asthma, Neurodegenerative diseases and Cancer.

  本发明涉及化合物、其合成及其作为视黄酸相关孤儿核受体γt（RORγt）/RORγ的拮抗剂、逆激动剂、调节剂和或抑制剂的用途。本发明的化合物可用于调节 RORγt)/RORγ 的活性，治疗由 RORγt)/RORγ 介导的疾病或病症，例如与人类自身免疫性疾病的免疫病理相关的疾病状态，如多发性硬化症 (MS)、类风湿性关节炎 (RA)、炎症性结肠炎、牛皮癣、慢性阻塞性肺病、疼痛、肥胖、糖尿病、血脂异常、骨质疏松症、哮喘、神经退行性疾病和癌症。