4-ethoxy-3-(trifluoromethyl)benzoic acid | 252901-50-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-ethoxy-3-(trifluoromethyl)benzoic acid
• 英文别名: 4-ethoxy-3-trifluoromethylbenzoic acid
• CAS: 252901-50-1
• 化学式: C₁₀H₉F₃O₃
• 分子量: 234.175
• InChiKey: KWEQYUCUGSDCHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-ethoxy-3-(trifluoromethyl)benzoic acid 、 N,1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.41h， 以51%的产率得到4-(5-(4-ethoxy-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ol
  参考文献：
  名称：

  [EN] NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS
  [FR] NOUVEAUX MODULATEURS DES RÉCEPTEURS DE LA SPHINGOSINE PHOSPHATE

  摘要：

  公开号：

  WO2009151529A9
• 作为产物：
  描述：

  4-羟基-3-三氟甲基苯甲酸 、 碘乙烷 在 lithium hydroxide 作用下， 生成 4-ethoxy-3-(trifluoromethyl)benzoic acid
  参考文献：
  名称：

  [EN] THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS ARYLAMIDOARYLIQUES THÉRAPEUTIQUES ET LEUR UTILISATION

  摘要：

  本发明一般涉及治疗化合物领域，更具体地涉及以下结构的某些芳基酰胺-芳基化合物（为方便起见，统称为“AAA化合物”），这些化合物是（选择性的）视黄酸受体α（RARα）激动剂。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体内外（选择性地）激活RARα，并用于治疗由RARα介导的疾病和症状，通过激活RARα得到改善等方面，包括认知障碍、记忆障碍、记忆缺陷、老年痴呆症、阿尔茨海默病、早期阿尔茨海默病、中期阿尔茨海默病、晚期阿尔茨海默病、认知障碍和轻度认知障碍的治疗。

  公开号：

  WO2011027106A1

文献信息

• Therapeutic Aryl-Amido-Aryl Compounds and Their Use
  申请人：Corcoran Jonathan Patrick Thomas

  公开号：US20120149737A1

  公开（公告）日：2012-06-14

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as “AAA compounds”), which, inter alia, are (selective) retinoic acid receptor α (RARα) 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 RARα, and in the treatment of diseases and conditions that are mediated by RARα, that are ameliorated by the activation of RARα, etc., including cognitive disorders, memory impairment, memory deficit, senile dementia, Alzheimer's disease, early stage Alzheimer's disease, intermediate stage Alzheimer's disease, late stage Alzheimer's disease, cognitive impairment, and mild cognitive impairment.

  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芳基酰胺-芳基化合物（为方便起见，以下统称为“AAA化合物”），其为（选择性）视黄酸受体α（RARα）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外和体内（选择性地）激活RARα，并用于治疗由RARα介导的疾病和症状，以及通过激活RARα改善的疾病和症状，包括认知障碍、记忆障碍、记忆缺陷、老年性痴呆、阿尔茨海默病、早期阿尔茨海默病、中期阿尔茨海默病、晚期阿尔茨海默病、认知损害和轻度认知损害。
• Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity
  申请人：SmithKline Beecham p.l.c.

  公开号：US20020143029A1

  公开（公告）日：2002-10-03

  Compounds of formula (I) and pharmaceutically acceptable salts and solvates: 1 where R 1 is hydrogen, C 1-6 alkyl (optionally substituted by hydroxy or C 1-4 alkoxy), phenyl-C 1-4 alkyl-, C 1-6 alkenyl, C 1-6 alkynyl; R 2 is hydrogen or up to three substituents selected from halogen, NO 2 , CN, N 3 , CF 3 O—, CF 3 S—, CF 3 CO—, C 1-6 alkyl, C 1-6 alkenyl, C 1-6 alkynyl, C 1-6 perfluoroalkyl, C 3-6 cycloalkyl, C 3-6 cycloalkyl-C 1-4 alkyl-, C 1-6 alkylO—, C 1-6 alkylCO—, C 3-6 cycloalkylO—, C 3-6 cycloalkylCO—, C 3-6 cycloalkyl-C 1-4 alkylO—, C 3-6 cycloalkyl-C 1-4 alkylCO—, phenyl, phenoxy, benzyloxy, benzoyl, phenyl-C 1-4 alkyl-, C 1-6 alkylS—, C 1-6 alkylSO 2 —, (C 1-4 alkyl) 2 NSO 2 —, (C 1-4 alkyl)NHSO 2 —, (C 1-4 alkyl) 2 NCO—, (C 1-4 alkyl)NHCO— or CONH 2 ; or —NR 5 R 6 where R 5 is hydrogen or C 1-4 alkyl, and R 6 is hydrogen, C 1-4 alkyl, formyl, —CO 2 C 1-4 alkyl or —COC 1-4 alkyl; or two R 2 groups together form a carbocyclic ring that is saturated or unsaturated. R 3 groups and R 4 groups are each independently hydrogen or C 1-6 alkyl and/or the two R 3 groups and/or the two R 4 groups together form a C 3-6 spiroalkyl group, provided that at least one R 3 or R 4 group is not hydrogen; and X is selected from hydrogen, halogen, cyano, alkyl and alkoxy. are useful in the treatment and prophylaxis of epilepsy, migraine, and other disorders.

  公式（I）化合物及其药学上可接受的盐和溶剂化合物：其中R1为氢、C1-6烷基（可选地被羟基或C1-4烷氧基取代）、苯基-C1-4烷基、C1-6烯基、C1-6炔基；R2为氢或最多三个取代基，所选自卤素、NO2、CN、N3、CF3O—、CF3S—、CF3CO—、C1-6烷基、C1-6烯基、C1-6炔基、C1-6全氟烷基、C3-6环烷基、C3-6环烷基-C1-4烷基、C1-6烷氧基、C1-6烷基CO—、C3-6环烷基烷氧基、C3-6环烷基CO—、C3-6环烷基-C1-4烷氧基、C3-6环烷基-C1-4烷基CO—、苯基、苯氧基、苄氧基、苯甲酰基、苯基-C1-4烷基、C1-6烷基S—、C1-6烷基SO2—、（C1-4烷基）2NSO2—、（C1-4烷基）NHSO2—、（C1-4烷基）2NCO—、（C1-4烷基）NHCO—或CONH2；或—NR5R6，其中R5为氢或C1-4烷基，R6为氢、C1-4烷基、甲酰基、—CO2C1-4烷基或—COC1-4烷基；或两个R2基共同形成一个饱和或不饱和的碳环。R3基和R4基各自独立地为氢或C1-6烷基，或两个R3基和/或两个R4基共同形成一个C3-6螺环烷基，前提是至少有一个R3或R4基不是氢；X选自氢、卤素、氰基、烷基和烷氧基。这些化合物对于治疗和预防癫痫、偏头痛和其他疾病是有用的。
• NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS
  申请人：Roberts Edward

  公开号：US20100010001A1

  公开（公告）日：2010-01-14

  Compounds that activate a sphingosine-1-phosphate receptor of the subtype 1 are provided. Certain compounds selectively activate the receptor subtype 1 in relation to the sphinogosine-4-phosphate receptor subtype 3. Uses and methods of inventive compounds for treatment of malconditions wherein activation, agonism, inhibition or antagonism of the S1P1 is medically indicated are provided.

  提供了激活1型鞘氨醇-1-磷酸受体的化合物。某些化合物在与鞘氨醇-4-磷酸受体亚型3相比，选择性地激活受体亚型1。提供了用于治疗需要医学上激活、激动、抑制或拮抗S1P1的恶性疾病的创新化合物的用途和方法。
• 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF
  申请人：Harada Hironori

  公开号：US20120178735A1

  公开（公告）日：2012-07-12

  Provided is a 2H-chromene compound or a derivative thereof which has an excellent S1P1 agonist action. The 2H-chromene compound or derivative is particularly useful for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells.

  提供了一种2H-色烯化合物或其衍生物，具有优异的S1P1激动剂作用。该2H-色烯化合物或衍生物特别适用于预防和/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堆积引起的疾病。
• Modulators of sphingosine phosphate receptors
  申请人：Roberts Edward

  公开号：US08466183B2

  公开（公告）日：2013-06-18

  Compounds of the following generic structure are provided: Such compounds activate a sphingosine-I-phosphate receptor of the subtype 1 (S1P1), and have utility in the treatment of malconditions mediated by S1P1 activation. More specifically, such compounds are beneficial in the treatment of, for example, multiple sclerosis, transplant rejection and/or adult respiratory syndrome.

  提供以下通用结构的化合物：这些化合物激活亚型1的鞘氨醇-1-磷酸受体（S1P1），并且在治疗由S1P1激活介导的疾病方面具有用途。更具体地说，这些化合物对于治疗多发性硬化症、移植排斥和/或成人呼吸综合症等疾病具有益处。