2-苯基哌啶-4-酮（盐酸盐形式） | 193201-69-3

• 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-苯基哌啶-4-酮（盐酸盐形式）
• 中文别名: 2-苯基哌啶-4-酮；2-苯基哌啶-4-酮(盐酸盐形式)
• 英文名称: 2-phenylpiperidin-4-one
• 英文别名: 2-phenyl-4-piperidinone
• CAS: 193201-69-3
• 化学式: C₁₁H₁₃NO
• mdl: MFCD05861574
• 分子量: 175.23
• InChiKey: GWIBEASNZNAKCX-UHFFFAOYSA-N

物化性质

• 沸点：
  308.9±30.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-苯基哌啶-4-酮（盐酸盐形式） 在 lithium tri-t-butoxyaluminum hydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以84%的产率得到(2R,4S)-(+)-2-Phenylpiperidine-4-ol
  参考文献：
  名称：

  BF 3 ·Et 2 O和三氟乙酸/三乙胺介导的功能化哌啶的合成

  摘要：

  通过使用BF 3 ·Et 2 O的级联反应或对t Boc基团进行一锅脱保护，以高效率的非对映选择性（仅反式构型）合成取代的哌啶酮和哌啶的两步快速有效策略通过分子内的氮杂-迈克尔加成，已经开发了α，β-不饱和β-酮酯。还描述了使用类似的策略短时间获得羟基哌酸的方法。该方法的主要特点是非常简单，快速的实验程序，涉及温和条件，并且仅进行一两次色谱纯化。

  DOI：

  10.1016/j.tetlet.2011.10.072
• 作为产物：
  描述：

  1-叔丁氧羰基-2-苯基-4-哌啶酮 在 三氟乙酸 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以93%的产率得到2-苯基哌啶-4-酮（盐酸盐形式）
  参考文献：
  名称：

  WO2007/3934

  摘要：

  公开号：

文献信息

• [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。
• [EN] NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS<br/>[FR] NOUVELLES PIPÉRIDONES SUBSTITUÉES EN TANT QU'INDUCTEURS DE HSP
  申请人：TORRENT PHARMACEUTICALS LTD

  公开号：WO2009004650A1

  公开（公告）日：2009-01-08

  The present invention relates to novel compounds of formula (I) or (II), their pharmaceutically acceptable salts and their hydrates, solvates, stereoisomers, conformers, tautomers, polymorphs and prodrugs and also pharmaceutically acceptable compositions containing them Wherein R1, R2, R3, R4, R5, R6 and R7 are as defined in the specification. The compounds of the present invention are HSP inducers and by virtue of this effect, useful for the treatment of various diseases accompanying pathological stress. The present invention also relates to a process for the preparation of the said novel compounds. The invention also relates to the use of the above-mentioned compounds for the preparation of medicament for use as pharmaceuticals.

  本发明涉及式(I)或(II)的新化合物，它们的药学上可接受的盐及其水合物、溶剂合物、立体异构体、构象异构体、互变异构体、多晶型和前药，以及含有它们的药学上可接受的组合物，其中R1、R2、R3、R4、R5、R6和R7如规范中所定义。本发明的化合物是HSP诱导剂，由于这种作用，对于治疗伴随病理性压力的各种疾病是有用的。本发明还涉及一种制备上述新化合物的方法。该发明还涉及上述化合物的用途，用于制备用作药物的药物。
• Tachykinin Antagonists
  申请人：Alvaro Guiseppe

  公开号：US20070135414A1

  公开（公告）日：2007-06-14

  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

  本发明涉及式（I）的苯二氮平衍生物，其中：R表示氢或C1-4烷基；R1表示氢或C1-4烷基；R2表示三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素；R3表示卤素或C1-4烷基；R4表示氢、卤素、C1-4烷基或COR6；R5表示氢、C1-4烷基或R5与R1一起表示C3-7环烷基；R6表示羟基、氨基、甲基氨基、二甲基氨基、含有1-3个杂原子（独立选择自氧、硫和氮）的5元杂环芳基基团或含有1-3个氮原子的6元杂环芳基基团；m或n独立地为零或1-3的整数；X和Y独立地为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表示氢、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；以及制备它们的方法和它们在治疗由速激肽介导的疾病中的应用。
• Chemical Compounds
  申请人：Alvaro Giuseppe

  公开号：US20080021041A1

  公开（公告）日：2008-01-24

  The present invention provides a method for the treatment of emesis in a mammal being treated with an opiod analgesic

  本发明提供了一种用于治疗哺乳动物在使用阿片类镇痛药物时恶心的方法。
• Novel Substituted Piperidones as HSP Inducers
  申请人：Kumar Prabhat

  公开号：US20100190824A1

  公开（公告）日：2010-07-29

  The present invention relates to novel compounds of formula (I) or (II), their pharmaceutically acceptable salts and their hydrates, solvates, stereoisomers, conformers, tautomers, polymorphs and prodrugs and also pharmaceutically acceptable compositions containing them Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined in the specification. The compounds of the present invention are HSP inducers and by virtue of this effect, useful for the treatment of various diseases accompanying pathological stress. The present invention also relates to a process for the preparation of the said novel compounds. The invention also relates to the use of the above-mentioned compounds for the preparation of medicament for use as pharmaceuticals.

  本发明涉及公式(I)或(II)的新型化合物，它们的药学上可接受的盐、水合物、溶剂物、立体异构体、构象异构体、互变异构体、多晶型和前药，以及包含它们的药学上可接受的组合物，其中R1、R2、R3、R4、R5、R6和R7如规范中所定义。本发明的化合物是HSP诱导剂，由于这种效应，对于治疗伴随病理应激的各种疾病有用。本发明还涉及制备所述新型化合物的方法。本发明还涉及上述化合物用于制备用作药物的制剂的用途。