1,1-dimethylethyl [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]carbamate | 169499-17-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,1-dimethylethyl [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]carbamate
• 英文别名: N-(tert-butoxycarbonyl)-(1S)-2-morpholin-4-yl-2-oxo-1-phenylethylamine；tert-butyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
• CAS: 169499-17-6
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: ZTEVVVOAQYTYMA-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethanamine
  参考文献：
  名称：

  Discovery of potent and orally active MTP inhibitors as potential anti-obesity agents

  摘要：

  We have successfully identified a number of novel MTP inhibitors with single digit nanomolar potency. Analogues 10aq and 10dq demonstrated in vivo efficacy in a murine gut retention assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.058
• 作为产物：
  描述：

  N-甲酰吗啉 在 盐酸 、 水 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙基苯 、 水 、 甲苯 为溶剂， 反应 25.0h， 生成 1,1-dimethylethyl [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]carbamate
  参考文献：
  名称：

  Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments

  摘要：

  Carbamoyl anions were found to smoothly react with chiral N-phosphonyl imines in toluene at -78 degrees C to r.t. using LiHMDS as the base. Group-assisted purification (GAP) has been utilized to give the pure amides without using column chromatography or recrystallization. The asymmetric reaction resulted in chiral N-phosphonyl amino amides with good to excellent yields (71-99%) and good crude diastereoselectivities (dr 84:16-95:5). In this GAP procedure, the crude solids are washed with diethyl ether to afford the pure products, as revealed by H-1 NMR analysis; GAP washing consistently increases the diastereopurity of the products, resulting in excellent diastereoselectivities, often with final dr > 99:1. Interestingly, the diastereoenriched products can be obtained either in the ether solution or as the suspended solid, depending on the substrate.

  DOI：

  10.1021/jo5024443

文献信息

• [EN] PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DERIVES DE PYRAZOLO-QUINAZOLINE, PROCEDE DE PREPARATION ASSOCIE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE KINASE
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2004104007A1

  公开（公告）日：2004-12-02

  Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了配方(Ia)或(Ib)中定义的吡唑喹唑啉衍生物及其药用盐，其制备方法以及包含它们的药物组合物；本发明的化合物可能在治疗中对与异常蛋白激酶活性相关的疾病，如癌症，具有用处。
• Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa
  申请人：Borthwick David Alan

  公开号：US20060166985A1

  公开（公告）日：2006-07-27

  The invention relates to novel chemical compounds, pharmaceutically acceptable derivatives thereof, processes for their preparation, pharmaceutical compositions containing them, and to their use in medicine, particularly use in the amelioration of a clinical condition for which a thrombin inhibitor is indicated.

  本发明涉及一种新型化合物、其药学上可接受的衍生物、其制备方法、包含它们的制药组合物，以及它们在医学上的使用，特别是在减轻需要凝血酶抑制剂的临床病症中的使用。
• Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors
  申请人：Traquandi Gabriella

  公开号：US20090124605A1

  公开（公告）日：2009-05-14

  Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明公开了式(Ia)或(Ib)的吡唑喹唑啉衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明的化合物在治疗与蛋白激酶活性失调有关的疾病，如癌症中可能有用。
• Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors
  申请人：Traquandi Gabriella

  公开号：US20070185143A1

  公开（公告）日：2007-08-09

  Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention maybe useful in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer”.

  本发明公开了公式（Ia）或（Ib）中定义的吡唑并[3,4-d]喹唑啉衍生物及其药学上可接受的盐，其制备方法和包含它们的制药组合物；本发明中的化合物可能在治疗中有用，用于治疗与蛋白激酶活性失调有关的疾病，如癌症。
• PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：Traquandi Gabriella

  公开号：US20130338148A1

  公开（公告）日：2013-12-19

  Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明揭示了式(Ia)或(Ib)的吡唑并喹唑啉衍生物及其药学上可接受的盐，以及它们的制备方法和包含它们的制药组合物；本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病，如癌症方面有用。