2-(3,5-difluorophenoxy)ethanol | 313655-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3,5-difluorophenoxy)ethanol
• 英文别名: 2-(3,5-Difluoro-phenoxy)-ethanol
• CAS: 313655-87-7
• 化学式: C₈H₈F₂O₂
• 分子量: 174.147
• InChiKey: GODOFBPRCDKDDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3,5-difluorophenoxy)ethanol 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 13.0h， 生成 1-(2-(3,5-difluorophenoxy)ethyl)-3-(fluoromethyl)azetidine
  参考文献：
  名称：

  [EN] TETRAHYDRO-1H-PYRIDO[3,4-b]INDOLE ANTI-ESTROGENIC DRUGS
  [FR] MÉDICAMENTS ANTI-ŒSTROGÉNIQUES DE TYPE TÉTRAHYDRO-1H-PYRIDO[3,4-B]INDOLE

  摘要：

  本公开提供四氢-1H-吡啶并[3,4-b]吲哚化合物或药用可接受的盐、溶剂合物、水合物、前药、立体异构体、互变异构体、转型异构体、N-氧化物和/或取代衍生物，或者作为药物组合物，用于调节由雌激素介导的疾病，或其他如本文所述的疾病。

  公开号：

  WO2017059139A1
• 作为产物：
  描述：

  碳酸乙烯酯 、 3,5-二氟苯酚 在 NaH 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以1.59 g (80%)的产率得到2-(3,5-difluorophenoxy)ethanol
  参考文献：
  名称：

  Certain aryl-aliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases

  摘要：

  通式（I）的化合物： 其中变量如规范中定义的那样，对于预防或治疗人类或动物中与血清素相关，特别是5-HT2受体相关的疾病是有用的，特别是与5-HT2c受体相关的疾病，尤其是与进食障碍、记忆障碍、精神分裂症、情绪障碍、焦虑障碍、疼痛、性功能障碍和尿液障碍等疾病相关的疾病。

  公开号：

  US06465467B1

文献信息

• Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents
  申请人：Axten Michael Jeffrey

  公开号：US20060116512A1

  公开（公告）日：2006-06-01

  Quinoline and naphthridine derivatives useful in the treatment of bacterial infections in mammals, particularly humans.

  喹啉和萘啶衍生物在哺乳动物，尤其是人类的细菌感染治疗中有用。
• CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES
  申请人：Biovitrum, AB, a Stockholm, Sweden corporation

  公开号：US20040242554A1

  公开（公告）日：2004-12-02

  The invention relates to compounds of the general formula (I): 1 wherein Ar is optionally substituted aryl or heteroaryl; A is (i) —O—, —S—, —SO 2 —, —NH—, (ii) a C 1-4 -alkyl- or C 1-6 -acyl-substituted nitrogen atom or (iii) a C 1-8 -alkylene chain or a heteroalkylene chain having 2 to 8 chain atoms, which optionally contains at least one unsaturation, and which may be substituted and/or contain a bridge to form a saturated or partially or fully unsaturated ring having 3-8 ring members; B is —C(R 4 )(R 5 )—, —OC(R 4 )(R 5 )—, —N(R 6 )C(R 4 )(R 5 )—, —N(R 6 )—, —O—, —S— or —SO 2 —; R is optionally substituted C 3-8 -cycloalkyl, aryl or heteroaryl; R 1 is (i) a saturated or unsaturated azacyclic or aminoazacyclic ring, or a saturated diazacyclic or aminodiazacyclic ring, which has 4 to 7 ring members, or a saturated aminoazabicyclic, azabicyclic or diazabicyclic ring which has 7 to 10 ring members, which rings optionally are substituted in one or more positions, or a group —[C(R 4 )(R 5 )] x N(R 2a )(R 3a )]; R 2a , R 3a , R 4 , R 5 , R 6 and x are as defined in the claims, and n is 0 or 1; and pharmaceutically acceptable salts, hydrates and prodrug forms thereof. The compounds may be prepared by per se conventional methods and can be used for treating a human or animal subject suffering from a serotonin-related disorder, such as eating disorders, especially obesity, memory, disorders, schizophrenia, mood disorders, anxiety disorders, pain, sexual dysfunctions, and urinary disorders. The invention also relates to such use as well as to pharmaceutical compositions comprising a compound of formula (I).

  本发明涉及通式（I）的化合物：其中Ar是可选取代的芳基或杂芳基；A是（i）—O—，—S—，—SO2—，—NH—，（ii）C1-4烷基或C1-6酰基取代的氮原子，或（iii）C1-8烷基链或具有2-8链原子的杂烷基链，其可选包含至少一个不饱和度，并且可以取代和/或含有桥接以形成具有3-8环成员的饱和或部分或完全不饱和环；B是—C（R4）（R5）—，—OC（R4）（R5）—，—N（R6）C（R4）（R5）—，—N（R6）—，—O—，—S—或—SO2—；R是可选取代的C3-8环烷基，芳基或杂芳基；R1是（i）饱和或不饱和的氮杂环或氨基氮杂环，或饱和的二氮杂环或氨基二氮杂环，其具有4-7环成员，或饱和的氨基氮杂双环、氮杂双环或二氮杂双环，其具有7-10环成员，这些环在一个或多个位置上可选取代，或者是一个组—[C（R4）（R5）]xN（R2a）（R3a）；R2a，R3a，R4，R5，R6和x如权利要求中所定义，n为0或1；以及其药学上可接受的盐、水合物和前药形式。这些化合物可以通过常规方法制备，并可用于治疗患有血清素相关疾病的人或动物，例如进食障碍，尤其是肥胖症，记忆障碍，精神分裂症，情绪障碍，焦虑障碍，疼痛，性功能障碍和泌尿系统疾病。本发明还涉及这种用途以及包含通式（I）化合物的制药组合物。
• Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases
  申请人：Biovitrum, AB, a Stockholm, Sweden corporation

  公开号：US20030092694A1

  公开（公告）日：2003-05-15

  The invention relates to compounds of the general formula (I): 1 wherein Ar is optionally substituted aryl or heteroaryl; A is (i) —O—, —S—, —SO 2 —, —NH—, (ii) a C 1-4 -alkyl- or C 1-6 -acyl-substituted nitrogen atom or (iii) a C 1-8 -alkylene chain or a heteroalkylene chain having 2 to 8 chain atoms, which optionally contains at least one unsaturation, and which may be substituted and/or contain a bridge to form a saturated or partially or fully unsaturated ring having 3-8 ring members; B is —C(R 4 )(R 5 )—, —OC(R 4 )(R 5 )—, —N(R 6 )C(R 4 )(R 5 )—, —N(R 6 )—, —O—, —S— or —SO 2 —; R is optionally substituted C 3-8 -cycloalkyl, aryl or heteroaryl; R 1 is (i) a saturated or unsaturated azacyclic or aminoazacyclic ring, or a saturated diazacyclic or aminodiazacyclic ring, which has 4 to 7 ring members, or a saturated aminoazabicyclic, azabicyclic or diazabicyclic ring which has 7 to 10 ring members, which rings optionally are substituted in one or more positions, or a group —[C(R 4 )(R 5 )] x N(R 2a )(R 3a )]; R 2a , R 3a , R 4 , R 5 , R 6 and x are as defined in the claims, and n is 0 or 1; and pharmaceutically acceptable salts, hydrates and prodrug forms thereof The compounds may be prepared by per se conventional methods and can be used for treating a human or animal subject suffering from a serotonin-related disorder, such as eating disorders, especially obesity, memory disorders, schizophrenia, mood disorders, anxiety disorders, pain, sexual dysfunctions, and urinary disorders The invention also relates to such use as well as to pharmaceutical compositions comprising a compound of formula (I)

  本发明涉及一般式（I）的化合物：其中Ar是可选取代的芳基或杂环芳基；A是（i）-O-，-S-，-SO2-，-NH-，（ii）C1-4-烷基或C1-6-酰基取代的氮原子或（iii）C1-8-烷基链或具有2至8个链原子的杂烷基链，可选地含有至少一个不饱和度，并且可以取代和/或包含桥以形成具有3-8个环成员的饱和或部分或完全不饱和的环；B是-C（R4）（R5）-，-OC（R4）（R5）-，-N（R6）C（R4）（R5）-，-N（R6）-，-O-，-S-或-SO2-；R是可选取代的C3-8-环烷基，芳基或杂环芳基；R1是（i）饱和或不饱和的氮杂环或氨基氮杂环环，或具有4至7个环成员的饱和二氮杂环或氨基二氮杂环环，或具有7至10个环成员的饱和氨基氮杂双环、氮杂双环或二氮杂双环环，这些环可选地在一个或多个位置上取代，或一个组-［C（R4）（R5）］xN（R2a）（R3a）；其中R2a，R3a，R4，R5，R6和x如所述，n为0或1；以及其药学上可接受的盐、水合物和前药形式。这些化合物可以通过常规方法制备，并可用于治疗患有血清素相关疾病的人类或动物受试者，例如进食障碍，特别是肥胖，记忆障碍，精神分裂症，情绪障碍，焦虑症，疼痛，性功能障碍和泌尿系统疾病。本发明还涉及这种用途以及包含式（I）化合物的药物组合物。
• Design, Synthesis, and Biological Activities of Novel 2-Cyanoacrylate Compounds Containing Substituted Pyrazolyl or 1,2,3-Triazolyl Moiety
  作者：Yang Wang、Yudie Chen、Ye Qian、Jia Chen、Xianchao Du、Yujun Shi、Baolin Xu、Sheng Hua、Hong Dai

  DOI：10.3390/molecules28073141

  日期：——

  To develop novel 2-cyanoacrylate derivatives with potential bioactivity, a number of 2-cyanoacrylate compounds, including substituted pyrazole or 1,2,3-triazole ring, were designed, prepared, and structurally detected by 1H NMR, 13C NMR, and elemental analysis. The biological assessment displayed that some designed compounds had significant herbicidal activities against Brassica juncea, Chenopodium

  为了开发具有潜在生物活性的新型2-氰基丙烯酸酯衍生物，设计、制备了许多2-氰基丙烯酸酯化合物，包括取代吡唑或1,2,3-三唑环，并通过1H NMR、13C NMR和元素分析对其进行了结构检测. 生物学评估表明，一些设计的化合物在 1500 g/ha 的剂量下对芥菜、藜、酸模、大麦草、Polypogon fugax 和早熟禾具有显着的除草活性。此外，当剂量降至150 g/ha时，一些衍生物对芥菜、藜和酸模仍表现出令人满意的除草活性，尤其是化合物9a、9d、9f、9i、10a、10b、10e、化合物9d、9f、9g、9h、9i、10h、9d、9f、9g、9h、9i、10h、10i、10m、10n和10o对藜有70%以上的抑制率，化合物9d对酸模有70%的除草活性。这些结果为进一步设计和发现具有生物活性的2-氰基丙烯酸酯化合物提供了重要依据。
• TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE ANTI-ESTROGENIC DRUGS
  申请人：Olema Pharmaceuticals, Inc.

  公开号：EP3912680A1

  公开（公告）日：2021-11-24

  The present disclosure provides tetrahydro-1H-pyrido[3,4-b]indole compounds or a pharmaceutically acceptable salt, solvate, hydrate, prodrug, stereoisomer, tautomer, rotamer, N-oxide and/or substituted derivative or, optionally in a pharmaceutical composition, for the modulation of disorders mediated by estrogen, or other disorders as more fully described herein.

  本公开提供了四氢-1H-吡啶并[3,4-b]吲哚化合物或药学上可接受的盐、溶液剂、水合物、原药、立体异构体、同分异构体、转构体、N-氧化物和/或取代衍生物，或可选的药物组合物，用于调节由雌激素介导的紊乱或本文更全面描述的其他紊乱。