2-{4-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]benzyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid | 1400794-28-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-{4-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]benzyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
• 英文别名: 2-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
• CAS: 1400794-28-6
• 化学式: C₂₅H₂₃NO₄
• 分子量: 401.462
• InChiKey: YLYHYDIKDUVOGJ-MQNHUJCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION<br/>[FR] BENZODIOXANNES POUR INHIBER LA PRODUCTION DE LEUCOTRIÈNES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013134226A1

  公开（公告）日：2013-09-12

  The present invention relates to compounds of formula (I) wherein R1 to R3, A, X and n are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A4 hydrolase (LTA4H) and treating LTA4H related disorder. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及式（I）的化合物，其中R1至R3，A，X和n如本文所定义。式（I）的化合物可用作白三烯A4水解酶（LTA4H）的抑制剂，并用于治疗与LTA4H相关的疾病。本发明还涉及包含式（I）化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的方法。
• BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY
  申请人：BYLOCK Lars Anders

  公开号：US20130236468A1

  公开（公告）日：2013-09-12

  The present invention relates to a combination comprising compounds of formula (I): wherein R 1 to R 3 , A, X and n are as defined herein, and an additional active agent. The present invention also relates to pharmaceutical compositions comprising these combinations, and methods of using these combinations to treat various diseases and disorders.

  本发明涉及一种组合物，包括式（I）的化合物： 其中R1至R3，A，X和n如本文所定义，并且另外包括一种活性剂。本发明还涉及包括这些组合物的药物组合物，以及使用这些组合物治疗各种疾病和疾病的方法。
• [EN] BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION<br/>[FR] INHIBITEURS BENZODIOXANES DE PRODUCTION DE LEUCOTRIÈNES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012125598A1

  公开（公告）日：2012-09-20

  The present invention relates to compounds of formula (I): wherein R1 to R3, A, X and n are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A4 hydrolase (LTA4H) and treating LTA4H related disorder. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及式(I)的化合物：其中R1至R3、A、X和n如本文所定义。式(I)的化合物可用作白三烯A4水解酶(LTA4H)的抑制剂，并用于治疗与LTA4H相关的疾病。本发明还涉及包含式(I)化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的方法。
• [EN] AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY<br/>[FR] PYRAZOLONES AMINOMÉTHYLÈNE À ACTIVITÉ THÉRAPEUTIQUE
  申请人：COMPOUND HANDLING B V

  公开号：WO2013131931A1

  公开（公告）日：2013-09-12

  A compound having the structure according to formula III wherein: X is NH or S;R1 is H or (1C-4C)alkyl;R2 is (1C-4C)alkyl, phenyl or a monocyclic aromatic ring having one or more N-, O-or S-atoms in the ring, which alkyl, phenyl or aromatic ring is optionally substituted with one or more groups selected from (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, phenyloxy, phenylthio, halogen, or nitro;R3 and R4 are each independently H, (1C-6C)alkyl, (2C-6C) alkenyl, (2C-6C)alkynyl, cyano, (3C-6C)cycloalkyl, phenyl, a monocyclic aromatic ring having one or more N-, O- or S-atoms in the ring, a monocyclic non-aromatic ring having one or more N-, O- or S-atoms in the ring, each optionally substituted with hydroxyl, (1C-4C)alkoxy, phenyl, cycloalkyl, piperidyl, piperazinyl, furyl, thienyl, pirazinyl, pyrrolyl, 2H-pyrrolyl, pyrazolyl, isoxazolyl, isothiazolyl, pyrrolidonyl, pyrrolinyl, imidazolinyl, imidazolyl, a monocyclic aromatic ring having one or more N-, O- or S- atoms in the ring, whereby each of these optional substituents is optionally further substituted with (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, halogen, nitro or (1C-2C)dioxol forming a ring;or R3 and R4 form together pyrrolyl, imidazolyl, pyrazolyl, pyrrolidinyl, pyrrolinylimidazolidinyl, imidazolinyl, piperidyl, piperazinylmorpholinyl, each optionally substituted with (1C-6C)alkyl, phenyl(1C-4C)alkyl, phenylketo(1C-4C)alkyl; R5 is H, Cl, F, Br, Me, NO2, t-butyl, OCF3, OCH3, CF3; R6 is H, (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, nitro or halogen;R7 is H,F, Cl, Br, Me, NO2, t-butyl, OCF3, OCH3, CF3; or pharmaceutically acceptable addition salts thereof for use in treatments of carcinoma, in particular to delay, prevent or reverse metastasis in prostate cancer.

  具有根据式III的结构的化合物，其中：X为NH或S；R1为H或(1C-4C)烷基；R2为(1C-4C)烷基、苯基或具有环中一个或多个N、O或S原子的单环芳香环，该烷基、苯基或芳香环可以选择地被一个或多个来自(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、苯氧基、苯硫基、卤素或硝基的基团取代；R3和R4分别独立地为H、(1C-6C)烷基、(2C-6C)烯基、(2C-6C)炔基、氰基、(3C-6C)环烷基、苯基、具有环中一个或多个N、O或S原子的单环芳香环、具有环中一个或多个N、O或S原子的单环非芳香环，每个可以选择地被羟基、(1C-4C)烷氧基、苯基、环烷基、哌啶基、哌嗪基、呋喃基、噻吩基、吡嗪基、吡咯基、2H-吡咯基、吡唑基、异噁唑基、异硫唑基、吡咯烷酰基、吡咯烯基、咪唑啉基、咪唑啉基咪唑啉基、咪唑啉基、哌啶基、哌嗪基吗啉基，每个可以选择地进一步被(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、卤素、硝基或(1C-2C)二氧杂环己基取代形成环；或者R3和R4共同形成吡咯基、咪唑基、吡唑基、吡咯烷基、吡咯烯基、咪唑啉基、哌啶基、哌嗪基吗啉基，每个可以选择地被(1C-6C)烷基、苯基(1C-4C)烷基、苯基酮(1C-4C)烷基取代；R5为H、Cl、F、Br、Me、NO2、叔丁基、O 、OCH3、CF3；R6为H、(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、硝基或卤素；R7为H、F、Cl、Br、Me、 、叔丁基、O 、OCH3、 ；或其在治疗癌症，特别是延迟、预防或逆转前列腺癌转移方面的药学上可接受的加合物盐。
• BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION
  申请人：Abeywardane Asitha

  公开号：US20130196973A1

  公开（公告）日：2013-08-01

  The present invention relates to compounds of formula (I): wherein R 1 to R 3 , A, X and n are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A 4 hydrolase (LTA4H) and treating LTA4H related disorder. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及式(I)化合物，其中R1至R3，A，X和n的定义如本文所述。式(I)化合物可用作白三烯A4水解酶（LTA4H）的抑制剂，并用于治疗LTA4H相关疾病。本发明还涉及包含式(I)化合物的制药组合物，使用这些化合物治疗各种疾病和疾患的方法，以及制备这些化合物的方法。