2-(4-氟-苯基)-哌啶-4-酮 | 414910-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-(4-氟-苯基)-哌啶-4-酮
• 英文名称: 2-(4-fluoro-phenyl)-piperidine-4-one
• 英文别名: 2-(4-fluorophenyl)piperidin-4-one
• CAS: 414910-21-7
• 化学式: C₁₁H₁₂FNO
• 分子量: 193.221
• InChiKey: SERPVNBVZNRTRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-氟-苯基)-哌啶-4-酮 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 16.0h， 生成 (+/-)-(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
  参考文献：
  名称：

  [EN] BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE
  [FR] BENZOXAZÉPINES UTILISÉES COMME INHIBITEURS DE P13K/MTOR ET PROCÉDÉS D'UTILISATION ET DE FABRICATION

  摘要：

  公开号：

  WO2012071509A3
• 作为产物：
  描述：

  4-甲氧基吡啶 在 palladium 10% on activated carbon 氢气 、 锌 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 12.0h， 生成 2-(4-氟-苯基)-哌啶-4-酮
  参考文献：
  名称：

  [EN] BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE
  [FR] BENZOXAZÉPINES UTILISÉES COMME INHIBITEURS DE P13K/MTOR ET PROCÉDÉS D'UTILISATION ET DE FABRICATION

  摘要：

  公开号：

  WO2012071509A3

文献信息

• [EN] BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE<br/>[FR] BENZOXAZÈPINES COMME INHIBITEURS DE MTOR ET MÉTHODES D'UTILISATION ET DE FABRICATION
  申请人：EXELIXIS INC

  公开号：WO2010138490A1

  公开（公告）日：2010-12-02

  The invention is directed to inhibitors of mTOR and pharmaceutically acceptable salts or solvates thereof, as well as methods of using them. The inhibitors are generally of structural formula wherein the combination of R1 and R2 are as defined herein, and pharmaceutically acceptable salts thereof.

  这项发明涉及 mTOR 的抑制剂及其药用盐或溶剂，以及它们的使用方法。这些抑制剂通常具有结构式，其中 R1 和 R2 的组合如本文所定义，并且其药用盐。
• [EN] BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE<br/>[FR] BENZOXAZÉPINES COMME INHIBITEURS DE PI3K/M TOR, MÉTHODES D'UTILISATION ET DE FABRICATION BENZOXAZEPINES AS INHIBITORS OF PI3K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE
  申请人：EXELIXIS INC

  公开号：WO2010138487A1

  公开（公告）日：2010-12-02

  The invention is directed to Compounds of Formula (I): the invention provides compounds that inhibit, regulate, and/or modulate P13K and/or mTOR that are useful in the treatment of hyperproliferative diseases, such as cancer, in mammals. This invention also provides methods of making the compound methods of using such compounds in the treatment of hyperproliferative diseases in mammals, especially humans, and to pharmaceutical compositions containing such compounds. For example, cancer in which activity against PI3fC-alph mTOR, or both contributes to its pathology and/or symptomatology include breast cancer mantle cell lymphoma, renal cell carcinoma, acute myelogenous leukemia, chronic myelogenous leukemia, NPM/ALK- transformed anaplastic large cell lymphoma, diffu large B cell lymphoma, rhabdomyosarcoma, ovarian cancer, endometrial cancer, cervic cancer, non small cell lung carcinoma, small cell lung carcinoma, adenocarcinoma, col cancer, rectal cancer, gastric carcinoma, hepatocellular carcinoma, melanoma, pancreat cancer, prostate carcinoma, thyroid carcinoma, anaplastic large cell lymphoma, hemangiom glioblastoma, or head and neck cancer.

  这项发明涉及式(I)的化合物：该发明提供了抑制、调节和/或调节P13K和/或mTOR的化合物，这些化合物在治疗哺乳动物的高增殖性疾病，如癌症，方面非常有用。该发明还提供了制备该化合物的方法，以及在治疗哺乳动物，特别是人类的高增殖性疾病中使用这些化合物的方法，以及含有这些化合物的药物组合物。例如，对PI3fC-α mTOR或两者都具有活性有助于其病理学和/或症状学的癌症包括乳腺癌、套细胞淋巴瘤、肾细胞癌、急性髓细胞白血病、慢性髓细胞白血病、NPM/ALK转化的间变性大细胞淋巴瘤、弥漫性大B细胞淋巴瘤、横纹肌肉瘤、卵巢癌、子宫内膜癌、宫颈癌、非小细胞肺癌、小细胞肺癌、腺癌、结肠癌、直肠癌、胃癌、肝细胞癌、黑色素瘤、胰腺癌、前列腺癌、甲状腺癌、间变性大细胞淋巴瘤、血管瘤、胶质母细胞瘤或头颈癌。
• Chemical compounds
  申请人：——

  公开号：US20040014770A1

  公开（公告）日：2004-01-22

  Formula (1) wherein R represents a halogen atom or a C 1-4 alkyl group; R 1 represents a C 1-4 alkyl group; R 2 represents hydrogen or a C 1-4 alkyl group; R 3 represents hydrogen, or a C 1-4 alkyl group; R 4 represents a trifluorometyl group; R 5 represents hydrogen, a C 1-4 alkyl group or C(0)R 6 ; R 6? represents C 1-4 alkyl, C 3-7 cycloalkyl, NH(C 1-4 alkyl) or N(C1-4alkyl) 2 ; m is zero or an integer from 1 to 3; n is an integer from 1 to 3 and pharmaceutically acceptable salts and solvates thereof; to processes for their preparation and their use in the treatment of conditions mediated bytachykinins.

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2002032867A1

  公开（公告）日：2002-04-25

  Formula (1) wherein R represents a halogen atom or a C1-4 alkyl group; R1 represents a C1-4 alkyl group; R2 represents hydrogen or a C1-4 alkyl group; R3 represents hydrogen, or a C1-4 alkyl group; R4 represents a trifluorometyl group; R5 represents hydrogen, a C1-4 alkyl group or C(0)R6; R6 represents C1-4 alkyl, C3-7 cycloalkyl, NH(C1-4 alkyl) or N(C1-4alkyl)2; m is zero or an integer from 1 to 3; n is an integer from1 to 3 and pharmaceutically acceptable salts and solvates thereof; to processes for their preparation and their use in the treatment of conditions mediated bytachykinins.

  公式（1），其中R代表卤素原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢，C1-4烷基或C（0）R6；R6代表C1-4烷基，C3-7环烷基，NH（C1-4烷基）或N（C1-4烷基）2；m为零或1至3的整数；n为1至3的整数，以及其药学上可接受的盐和溶剂合物；其制备过程及其在治疗由速激肽介导的疾病中的应用。
• 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists
  申请人：——

  公开号：US20040127485A1

  公开（公告）日：2004-07-01

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins.

  本发明涉及公式（I）的苯二氮平衍生物，其中R代表氢或C1-4烷基；R1代表氢或C1-4烷基；R2代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R3代表卤素或C1-4烷基；R4代表氢，卤素，C1-4烷基或COR6；R5代表氢，C1-4烷基或R5与R1一起代表C3-7环烷基；R6代表羟基，氨基，甲基氨基，二甲基氨基，含有1至3个独立选择的氧，硫和氮杂原子的5元杂环芳基基团或含有1至3个氮原子的6元杂环芳基基团；m或n分别为零或1至3的整数；X和Y分别为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7代表氢，C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及它们在治疗由快速激肽调节的疾病中的应用的制备方法。