2-氨基-6-(三氟甲基)苄醇 | 763027-00-5

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 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: 2-氨基-6-(三氟甲基)苄醇
• 英文名称: (2-amino-6-(trifluoromethyl)phenyl)methanol
• 英文别名: 2-amino-6-(trifluoromethyl)benzyl alcohol；[2-amino-6-(trifluoromethyl)phenyl]methanol
• CAS: 763027-00-5
• 化学式: C₈H₈F₃NO
• 分子量: 191.153
• InChiKey: XSXLPYPTYMDAMK-UHFFFAOYSA-N

物化性质

• 沸点：
  265.7±40.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基-6-(三氟甲基)苄醇 在 盐酸 、 manganese(IV) oxide 、 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 24.0h， 生成 (1R,14S,15R)-25-methyl-9-(trifluoromethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol;hydrochloride
  参考文献：
  名称：

  Synthesis of quinolinomorphinan derivatives as highly selective δ opioid receptor ligands

  摘要：

  We have reported previously the novel delta opioid agonist KNT-127 which showed high affinity and selectivity for the delta receptor. Moreover, the analgesic effect of subcutaneously administered KNT-127 was more potent than that of a prototypical delta agonist (-)-TAN-67 in the acetic acid writhing test. This study of the structure-activity relationship of KNT-127 derivatives focused on the introduction of substituents onto the 5'-, 6'-, 7'- or 8'-position of the quinoline ring and revealed that many derivatives with 5'- or 8'-substituents showed high affinities and selectivities for the delta receptor. Especially, SYK-153 with an 8'-OH group showed the highest affinity and the most balanced and highest selectivity for the delta receptor among the synthesized compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.08.004
• 作为产物：
  描述：

  2-氨基-6-三氟甲基苯甲酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以97%的产率得到2-氨基-6-(三氟甲基)苄醇
  参考文献：
  名称：

  有机电致发光材料和装置

  摘要：

  本发明涉及有机电致发光材料和装置。公开了用于金属络合物的新颖配体，所述金属络合物适用作有机发光装置中的磷光发射体，其在所述配体中并入氟化侧链。此类金属络合物具有至少一个选自由以下组成的群组的取代基R：部分氟化的烷基、部分氟化的环烷基以及其组合，其中R直接键结到芳环。在所述化合物中，上面连接有F的C与所述芳环相隔至少一个碳原子。

  公开号：

  CN105503960A

文献信息

• 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors
  作者：Christopher Asquith、Paulo Godoi、Rafael Couñago、Tuomo Laitinen、John Scott、Christopher Langendorf、Jonathan Oakhill、David Drewry、William Zuercher、Panayiotis Koutentis、Timothy Willson、Andreas Kalogirou

  DOI：10.3390/molecules23051221

  日期：——

  demonstrate for the first time that 4H-1,2,6-thiadiazin-4-one (TDZ) can function as a chemotype for the design of ATP-competitive kinase inhibitors. Using insights from a co-crystal structure of a 3,5-bis(arylamino)-4H-1,2,6-thiadiazin-4-one bound to calcium/calmodulin-dependent protein kinase kinase 2 (CaMKK2), several analogues were identified with micromolar activity through targeted displacement of

  我们首次证明了4H-1,2,6-噻二嗪-4-酮（TDZ）可以用作设计ATP竞争性激酶抑制剂的化学型。利用结合到钙/钙调蛋白依赖性蛋白激酶2（CaMKK2）的3,5-双（芳基氨基）-4H-1,2,6-噻二嗪-4-酮的共晶体结构获得的见解，得到了几种类似物通过结合的水分子在活性位点的靶向置换而具有微摩尔活性。由于TDZ类似物与其2，4-二苯并嘧啶对立物相比显示出降低的滥交性，因此它们代表了开发高选择性激酶抑制剂的起点。
• POLYCYCLIC QUINAZOLINES, PREPARATION THEREOF, AND USE THEREOF
  申请人：Li Jianqi

  公开号：US20110288086A1

  公开（公告）日：2011-11-24

  At least one active pharmaceutical ingredient is chosen from polycyclic quinazolines of formula V, pharmaceutically acceptable salts thereof, and hydrates of the pharmaceutically acceptable salts. The active pharmaceutical ingredients disclosed may be inhibitors of protein tyrosine kinase inhibitors and/or aurora kinase. The active pharmaceutical ingredients can be used for treating cancers susceptible to treatment with protein tyrosine kinase inhibitors and/or aurora kinase inhibitors.

  至少选择一种活性药用成分来自公式V的多环喹唑啉，其药学上可接受的盐，以及药学上可接受的盐的水合物。所披露的活性药用成分可能是蛋白酪氨酸激酶抑制剂和/或极化激酶的抑制剂。这些活性药用成分可用于治疗对蛋白酪氨酸激酶抑制剂和/或极化激酶抑制剂治疗敏感的癌症。
• [EN] IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDAZINE UTILISÉS EN TANT QU'INHIBITEURS DE PΙ3ΚΒ
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016097347A1

  公开（公告）日：2016-06-23

  The present invention relates to substituted imidazopyridazine derivatives of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as pΙ3Κβ inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式（I）的取代咪唑吡啶嗪衍生物，其中变量的含义如索赔中所定义。根据本发明的化合物可用作pΙ3Κβ抑制剂。本发明还涉及制备这种新颖化合物的方法，包含该化合物作为活性成分的药物组合物，以及将该化合物用作药物的用途。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160104848A1

  公开（公告）日：2016-04-14

  Novel ligands for metal complex compounds that are useful as a phosphorescent emitter in organic light emitting devices that incorporate fluorinated side chains in the ligands are disclosed. Such metal complex has at least one substituent R selected from the group consisting of partially fluorinated alkyl, partially fluorinated cycloalkyl, and combinations thereof, wherein R is directly bonded to an aromatic ring, In the compound, C having an F attached thereto is separated by at least one carbon atom from the aromatic ring.

  揭示了用作有机发光器件中磷光发射体的金属配合物的新型配体，该金属配合物在配体中包含氟化侧链。这种金属配合物至少有一个取代基R，R选自部分氟化烷基、部分氟化环烷基和它们的组合，其中R直接连接到芳香环。在该化合物中，连接到芳香环的碳原子上至少有一个连接有F。
• Optionally substituted
  申请人：Bristol-Myers Company

  公开号：US03932407A1

  公开（公告）日：1976-01-13

  Optionally substituted 1,2,3,5-tetrahydroimidazo[2,1-b]-quinazolin-2-ones and 6-[H]-1,2,3,4-tetrahydropyrimido[2,1-b]-quinazolin-2-ones or the pharmaceutically acceptable salts thereof are compounds useful as blood platelet anti-aggregative and/or antihypertensive and/or bronchodilator agents in mammals, including humans.

  1,2,3,5-四氢咪唑[2,1-b]-喹唑啉-2-酮和6-[H]-1,2,3,4-四氢嘧啶[2,1-b]-喹唑啉-2-酮或其在药学上可接受的盐是对哺乳动物，包括人类，具有抗血小板聚集、抗高血压和/或支气管扩张作用的化合物。