trifluoromethanesulfonic acid 6-(3-adamantan-1-yl-4-methoxy-phenyl)naphthalen-2-yl ester | 928226-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: trifluoromethanesulfonic acid 6-(3-adamantan-1-yl-4-methoxy-phenyl)naphthalen-2-yl ester
• 英文别名: 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-hydroxynaphthalenyl trifluoromethanesulfonate；6-[3-(1-Adamantyl)-4-methoxyphenyl]-2-naphthalenyl trifluoromethanesulfonate；[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl] trifluoromethanesulfonate
• CAS: 928226-60-2
• 化学式: C₂₈H₂₇F₃O₄S
• 分子量: 516.581
• InChiKey: NJECUYHJSUCZJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  trifluoromethanesulfonic acid 6-(3-adamantan-1-yl-4-methoxy-phenyl)naphthalen-2-yl ester 、 联硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以97%的产率得到2-(6-(3-(adamantan-1-yl)-4-methoxyphenyl)naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  WO2007/28104

  摘要：

  公开号：
• 作为产物：
  描述：

  6-(3-((3r,5r,7r)-Adamantan-1-yl)-4-methoxyphenyl)naphthalen-2-ol 、 三氟甲磺酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以73%的产率得到trifluoromethanesulfonic acid 6-(3-adamantan-1-yl-4-methoxy-phenyl)naphthalen-2-yl ester
  参考文献：
  名称：

  WO2007/63523

  摘要：

  公开号：

文献信息

• Novel Therapeutic Agents for the Treatment of Cancer, Metabolic Diseases and Skin Disorders
  申请人：Sarshar Sepehr

  公开号：US20080221069A1

  公开（公告）日：2008-09-11

  The present invention is directed to novel compounds according to formula (I) wherein R 1 , R 2 , and X are as defined herein. The invention also discloses methods of preparation, pharmaceutical compositions, and methods of disease treatment utilizing pharmaceutical compositions comprising these compounds. The compounds of this invention are novel therapeutic agents for the treatment of cancer, diabetes, metabolic diseases and skin disorders in mammalian subjects. These compounds are also useful modulators of gene expression. They exert their activity by interfering with certain cellular signal transduction cascades. The compounds of the invention are thus also useful for regulating cell differentiation and cell cycle processes that are controlled or regulated by various hormones or cytokines. The invention also discloses pharmaceutical compositions and methods of treatment of disease in mammals.

  本发明涉及按照式（I）定义的新化合物，其中R1、R2和X如本文所定义。本发明还揭示了制备方法、制药组合物以及利用包含这些化合物的制药组合物治疗疾病的方法。本发明的化合物是哺乳动物主体中治疗癌症、糖尿病、代谢疾病和皮肤疾病的新型治疗剂。这些化合物也是有用的基因表达调节剂。它们通过干扰某些细胞信号转导级联来发挥作用。因此，本发明的化合物也有助于调节由各种激素或细胞因子控制或调节的细胞分化和细胞周期过程。本发明还揭示了哺乳动物疾病的制药组合物和治疗方法。
• INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE
  申请人：Comely Alexander Christian

  公开号：US20110040115A1

  公开（公告）日：2011-02-17

  Process for the preparation of aromatic derivatives of 1-adamantane (tricyclo[3.3.1.1 (3,7)]decane), or an acceptable pharmaceutical salt thereof, based on a hydrolysis reaction of a precursor cyano compound. It also comprises different processes for obtaining the cyano compound. It is especially useful for obtaining Adapalene on an industrial scale in high yield and purity. It also comprises new intermediates useful in said preparation process.

  本发明涉及一种制备1-金刚烷芳香衍生物（三环[3.3.1.1(3,7)]癸烷）或其可接受的药用盐的方法，该方法基于前体氰化物的水解反应。它还包括不同的方法来获得氰化物前体。该方法特别适用于在高产率和纯度下工业规模制备阿达帕林。它还包括在该制备过程中有用的新中间体。
• US7589239B2
  申请人：——

  公开号：US7589239B2

  公开（公告）日：2009-09-15
• [EN] NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS<br/>[FR] NOUVEAUX AGENTS THERAPEUTIQUES DESTINES A TRAITER LE CANCER, LES MALADIES METABOLIQUES ET LES AFFECTIONS CUTANEES
  申请人：AUSPEX PHARMACEUTICALS INC

  公开号：WO2007028104A2

  公开（公告）日：2007-03-08

  [EN] The present invention is directed to novel compounds according to formula (I) wherein R₁, R₂, and X are as defined herein. The invention also discloses methods of preparation, pharmaceutical compositions, and methods of disease treatment utilizing pharmaceutical compositions comprising these compounds. The compounds of this invention are novel therapeutic agents for the treatment of cancer, diabetes, metabolic diseases and skin disorders in mammalian subjects. These compounds are also useful modulators of gene expression. They exert their activity by interfering with certain cellular signal transduction cascades. The compounds of the invention are thus also useful for regulating cell differentiation and cell cycle processes that are controlled or regulated by various hormones or cytokines. The invention also discloses pharmaceutical compositions and methods of treatment of disease in mammals.
  [FR] L'invention concerne de nouveaux composés représentés par la formule (I), dans laquelle R₁, R₂ et X sont tels que définis dans le descriptif. L'invention concerne aussi des procédés de préparation, des compositions pharmaceutiques et des méthodes de traitement de maladies utilisant des compositions pharmaceutiques renfermant ces composés. Les composés de l'invention constituent de nouveaux agents thérapeutiques destinés à traiter le cancer, le diabète, les maladies métaboliques et les affections cutanées chez des sujets mammifères. Ces composés constituent aussi des modulateurs utiles de l'expression génique. Ils agissent en interférant avec certaines cascades de transduction de signaux cellulaires. Lesdits composés sont également utiles pour réguler les processus de différenciation cellulaire et du cycle cellulaire qui sont réglés ou régulés par diverses hormones ou cytokines. L'invention concerne aussi des compositions pharmaceutiques et des méthodes de traitement de maladies chez des mammifères.