苯,4-异氰酸基-1-甲氧基-2-(三氟甲基)- | 16588-76-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯,4-异氰酸基-1-甲氧基-2-(三氟甲基)-
• 英文名称: 4-Methoxy-3-trifluormethyl-phenylisocyanat
• 英文别名: 4-isocyanato-1-methoxy-2-trifluoromethyl-benzene；4-methoxy-3-trifluoromethyl-phenyl isocyanate；4-Methoxy-3-trifluoromethylphenyl isocyanate；4-isocyanato-1-methoxy-2-(trifluoromethyl)benzene
• CAS: 16588-76-4
• 化学式: C₉H₆F₃NO₂
• 分子量: 217.147
• InChiKey: CSBHONBMAUEBFH-UHFFFAOYSA-N

物化性质

• 沸点：
  237.9±40.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  苯,4-异氰酸基-1-甲氧基-2-(三氟甲基)- 、 4,5,6,7-tetrahydrocyclopenta-1,3-dioxin-4-one 生成 3-(4-methoxy-3-trifluoromethyl-phenyl)-6,7-dihydro-5H-cyclopenta[e][1,3]oxazine-2,4-dione
  参考文献：
  名称：

  Jaeger,G.; Wenzelburger,J., Justus Liebigs Annalen der Chemie, 1976, p. 1689 - 1712

  摘要：

  DOI：

文献信息

• [EN] HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY<br/>[FR] DERIVES D'AMIDE HETEROCYCLIQUE AYANT UNE ACTIVITE INHIBITRICE DE LA GLYCOGENE PHOSPHORYLASE
  申请人：ASTRAZENECA AB

  公开号：WO2005020986A1

  公开（公告）日：2005-03-10

  A compound of the formula (1) or a pharmaceutically-acceptable salt thereof wherein: R4 and R5 together are either -S-C(R6)=C(R7)- or -C(R7)=C(R6)-S-; A is phenylene or heteroarylene; R1 is for example selected from halo, nitro, cyano, hydroxy, carboxy, carbamoyl, N-(1-4C)alkylcarbamoyl, N-(1-4C)alkylsulphamoyl, (1-4C)alkyl, (1-4C)alkoxy, (1-4C)alkanoyl, (1-4C)alkanoyloxy, hydroxy(1-4C)alkyl, fluoromethyl, and -NHSO2(1-4C)alkyl; or, when n is 2, the two R1 groups, together with the carbon atoms of A to which they are attached, may form a 4 to 7 membered saturated ring, optionally containing 1 or 2 heteroatoms independently selected from O, S and N; R2 and R3 together with the nitrogen to which they are attached form an optionally substituted 4- to 7-membered, heterocyclic ring; possess glycogen phosphorylase inhibitory activity and accordingly have value in the treatment of disease states associated with increased glycogen phosphorylase activity. Processes for the manufacture of compounds and pharmaceutical compositions containing them are described.

  一种化合物的分子式（1）或其药用可接受的盐，其中：R4和R5一起是-S-C(R6)=C(R7)-或-C(R7)=C(R6)-S-；A是苯基或杂环芳基；R1例如被选择自卤素、硝基、氰基、羟基、羧基、氨基甲酰基、N-(1-4C)烷基甲酰基、N-(1-4C)烷基磺酰基、(1-4C)烷基、(1-4C)烷氧基、(1-4C)烷酰基、(1-4C)烷酰氧基、羟基(1-4C)烷基、氟甲基和-NHSO2(1-4C)烷基；或者，当n为2时，两个R1基团与它们连接的A的碳原子一起，可以形成一个含有1或2个杂原子（独立选择自O、S和N）的4至7个成员饱和环；R2和R3与它们连接的氮一起形成一个可选地取代的4至7个成员的杂环环；具有糖原磷酸化酶抑制活性，因此在治疗与增加的糖原磷酸化酶活性相关的疾病状态中具有价值。描述了制备化合物和含有它们的药物组合物的过程。
• [DE] BENZOTHIOPHEN-, BENZOFURAN- UND INDOLHARNSTOFFE UND DEREN VERWENDUNG ALS ALPHA7-ACHR AGONISTEN<br/>[EN] BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS<br/>[FR] UREES DE BENZOTHIOPHENE, DE BENZOFURANNE ET D'INDOLE ET UTILISATION DE CES UREES COMME AGONISTES DES ACHR ALPHA 7
  申请人：BAYER HEALTHCARE AG

  公开号：WO2004013136A1

  公开（公告）日：2004-02-12

  Die Erfindung betrifft neue Benzothiophen-, Benzofuran-, und Indolharnstoffe und ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten und zur Verbesserung der Wahrnehmung, Konzentrationsleistung, Lernleistung und/oder Gedächtnisleistung.

  这项发明涉及新的苯并噻吩、苯并呋喃和吲哚脲类化合物，以及它们用于制备用于治疗和/或预防疾病、改善感知、注意力、学习能力和/或记忆力的药物的用途。
• [EN] INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY<br/>[FR] DERIVES D'INDOLAMIDE POSSEDANT UNE ACTIVITE INHIBITRICE DE LA GLYCOGENE PHOSPHORYLASE
  申请人：ASTRAZENECA AB

  公开号：WO2005020985A1

  公开（公告）日：2005-03-10

  A compound of the formula (1) or a pharmaceutically-acceptable salt, or pro-drug thereof; wherein: A is phenylene or heteroarylene; n is 0, 1 or 2; m is 0, 1 or 2; R' is for example selected from halo, nitro, cyano, hydroxy, carboxy, carbamoyl, N-(1-4C)alkylcarbamoyl, N-(1-4C)alkylsulphamoyl, (1-4C)alkyl, (1-4C)alkoxy, (1­4C)alkanoyl, (1-4C)alkanoyloxy, hydroxy(1-4C)alkyl, fluoromethyl, and -NHSO2(1­4C)alkyl; or, when n is 2, the two R1 groups, together with the carbon atoms of A to which they are attached, may form a 4 to 7 membered saturated ring, optionally containing 1 or 2 heteroatoms independently selected from 0, S and N; R2 and R3 together with the nitrogen to which they are attached form an optionally substituted 4- to 7-membered, heterocyclic ring; and R4 is for example halo or (1-4C)alkyl; possess glycogen phosphorylase inhibitory activity and accordingly have value in the treatment of disease states associated with increased glycogen phosphorylase activity. Processes for the manufacture of compounds and pharmaceutical compositions containing them are described.

  该化合物的结构式（1）或其药用盐或前药；其中：A为苯基或杂环烷基；n为0、1或2；m为0、1或2；R'例如选自卤素、硝基、氰基、羟基、羧基、氨基甲酰基、N-（1-4C）烷基甲酰基、N-（1-4C）烷基磺酰基、（1-4C）烷基、（1-4C）烷氧基、（1-4C）烷酰基、（1-4C）烷酰氧基、羟基（1-4C）烷基、氟甲基和-NHSO2（1-4C）烷基；或者，当n为2时，两个R1基团与它们连接的A的碳原子一起可以形成一个含有1或2个杂原子（独立选择自0、S和N）的4到7元饱和环；R2和R3与它们连接的氮形成一个可选择取代的4到7元杂环；R4例如为卤素或（1-4C）烷基；具有糖原磷酸化酶抑制活性，并因此在治疗与糖原磷酸化酶活性增加相关的疾病状态中具有价值。描述了制备该化合物和含有它们的药物组合物的方法。
• Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity
  申请人：Mitchell A. Scott

  公开号：US20050085484A1

  公开（公告）日：2005-04-21

  Certain substituted imidazo[1,2-a]pyrazines and the pharmaceutically-acceptable salts thereof, are provided herein. Pharmaceutical compositions containing one or more compound of Formula I, or a pharmaceutically acceptable salt of such compounds, and one or more pharmaceutically acceptable carriers, excipients, or diluents, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to EphB4 kinase modulation, which comprise administering to such patients an amount of a compound of Formula I effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Thus methods of treatment include administering a sufficient amount of a compound of the invention to decrease the symptoms or slow the progression of these diseases or disorders. Methods of treatment include administering a compound of Formula I as a single active agent or administering a compound of Formula I in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with a compound of Formula I under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.

  本文提供了某些取代的咪唑并[1,2-a]吡嗪化合物及其药物可接受的盐。本文还提供了含有一种或多种I式化合物或这些化合物的药物可接受的盐和一种或多种药物可接受的载体、赋形剂或稀释剂的制药组合物。本文公开了治疗对EphB4激酶调节敏感的某些疾病和疾病的患者的方法，该方法包括向这些患者施用足够的I式化合物的量，以减少疾病或疾病的症状或迹象。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。因此，治疗方法包括施用足够的本发明化合物的量，以减轻这些疾病或疾病的症状或减缓其进展。治疗方法包括将I式化合物作为单一活性剂或与一种或多种其他治疗剂联合使用。一种用于确定样品中是否存在血管生成激酶的方法，包括将样品与I式化合物接触，以便在允许检测血管生成激酶活性的条件下检测血管生成激酶活性水平，并从中确定样品中是否存在血管生成激酶。
• Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists
  申请人：Flessner Timo

  公开号：US20060106096A1

  公开（公告）日：2006-05-18

  The invention relates to novel benzothiophene-, benzofuran- and indole ureas and to the use thereof for producing medicaments for the treatment and/or prophylaxis of diseases and for improving perception, concentration, learning and/or memory.

  本发明涉及新型苯并噻吩、苯并呋喃和吲哚脲及其用于制备治疗和/或预防疾病以及改善感知、注意力、学习和/或记忆的药物。