2-苯基哌嗪-1-羧酸苄醇 | 912763-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-苯基哌嗪-1-羧酸苄醇
• 英文名称: benzyl 2-phenylpiperazine-1-carboxylate
• CAS: 912763-14-5
• 化学式: C₁₈H₂₀N₂O₂
• 分子量: 296.369
• InChiKey: OSZLLPOULCKUCI-UHFFFAOYSA-N

物化性质

• 沸点：
  457.1±45.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-苯基哌嗪-1-羧酸苄醇 在 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-methylbenzyl)-4-(3-phenoxybenzyl)-3-phenylpiperazine-1-carboxamide
  参考文献：
  名称：

  药物化学中的多步连续流合成：CCR8配体的发现与初步结构-活性关系

  摘要：

  报道了一种三步连续流合成系统及其在直接从商业构件中组装新系列趋化因子受体配体中的应用。无需使用清除柱或溶剂转换即可回收所需的测试化合物，这些化合物的总产率为49-94％。该系统是模块化且灵活的，该序列的各个步骤可以互换使用，并具有相似的结果，从而扩展了化学反应的范围。生物学评估证实了该趋化因子CCR8受体的活性，并提供了该新配体系列的初始结构-活性-关系（SAR）信息，其中最有效的成员显示了全激动剂活性，单位为纳摩尔浓度。据我们所知，

  DOI：

  10.1002/chem.201204350
• 作为产物：
  描述：

  N-1-Boc-3-苯基哌嗪 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 2-苯基哌嗪-1-羧酸苄醇
  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 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。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture
  申请人：Aay Naing

  公开号：US20120258953A1

  公开（公告）日：2012-10-11

  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.

  本发明涉及化合物I式的化合物：本发明提供了一种抑制、调节和/或调节P13K和/或mTOR的化合物，其在哺乳动物中治疗增殖过度性疾病，如癌症方面非常有用。本发明还提供了制备该化合物的方法，使用这些化合物在哺乳动物中治疗增殖过度性疾病的方法，特别是人类，并提供了包含这些化合物的制药组合物。例如，对于活性针对PI3fC-alph mTOR或两者都对其病理和/或症状学产生贡献的癌症，包括乳腺癌、曼托细胞淋巴瘤、肾细胞癌、急性髓性白血病、慢性髓性白血病、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。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture
  申请人：Rice Kenneth D.

  公开号：US20140024637A1

  公开（公告）日：2014-01-23

  The invention is directed to Compounds of Formula I: and pharmaceutically acceptable salts or solvates thereof, as well as methods of making and using the compounds.

  本发明涉及式I的化合物，以及其药学上可接受的盐或溶剂化物，以及制备和使用该化合物的方法。
• Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture
  申请人：Aay Naing

  公开号：US08637499B2

  公开（公告）日：2014-01-28

  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.

  本发明涉及式（I）的化合物：本发明提供了抑制，调节和/或调节P13K和/或mTOR的化合物，这些化合物对于哺乳动物（特别是人类）的高增殖性疾病的治疗非常有用，例如癌症。本发明还提供制备该化合物的方法，使用这种化合物治疗哺乳动物（特别是人类）的高增殖性疾病的方法，以及含有这种化合物的制药组合物。例如，对于PI3fC-alph mTOR或两者都对其病理学和/或症状学产生影响的癌症包括乳腺癌，曼托细胞淋巴瘤，肾细胞癌，急性髓性白血病，慢性髓性白血病，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 mechanical planarization for tungsten-containing substrates
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP2779217A2

  公开（公告）日：2014-09-17

  Chemical mechanical polishing (CMP) compositions for polishing tungsten or tungsten-containing substrates comprise an abrasive, at least one solid catalyst, a chemical additive selected from the groups consisting of piperazine derivatives, salts of cyanate, and combinations thereof; and a liquid carrier. Systems and processes use the aqueous formulations for polishing tungsten or tungsten-containing substrates.

  用于抛光钨或含钨基材的化学机械抛光（CMP）组合物包括磨料、至少一种固体催化剂、一种选自哌嗪衍生物、氰酸盐及其组合的化学添加剂；以及一种液体载体。系统和工艺使用水性制剂抛光钨或含钨基材。