(5-苯基吡嗪-2-基)氨基甲酸苯酯 | 268538-11-0

• 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: (5-苯基吡嗪-2-基)氨基甲酸苯酯
• 英文名称: (5-phenylpyrazin-2-yl)carbamic acid phenyl ester
• 英文别名: phenyl 5-phenylpyrazin-2-ylcarbamate；phenyl N-(5-phenyl-2-pyrazinyl)carbamate；phenyl N-(5-phenylpyrazin-2-yl)carbamate
• CAS: 268538-11-0
• 化学式: C₁₇H₁₃N₃O₂
• 分子量: 291.309
• InChiKey: REKAGYBALLGJMY-UHFFFAOYSA-N

物化性质

• 熔点：
  199.5-200.5 °C(Solv: acetonitrile (75-05-8); tetrahydrofuran (109-99-9))
• 沸点：
  441.9±45.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-苯基吡嗪-2-基)氨基甲酸苯酯 、 1-(甲基磺酰基)螺[吲哚啉-3,4’-哌啶] 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 1-(methylsulfonyl)-N-(5-phenylpyrazin-2-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide
  参考文献：
  名称：

  Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists

  摘要：

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.02.035
• 作为产物：
  描述：

  氯甲酸苯酯 、 2-氨基-5-苯基吡嗪 在 吡啶 作用下， 生成 (5-苯基吡嗪-2-基)氨基甲酸苯酯
  参考文献：
  名称：

  新型口服活性NPY Y5受体拮抗剂：螺吲哚啉类化合物的合成及其构效关系

  摘要：

  合成了设计用作NPY Y5受体拮抗剂的螺吲哚啉脲衍生物，并研究了它们的结构-活性关系。在这些衍生物中，化合物3a显示出良好的Y5结合亲和力和良好的药代动力学性质。化合物3a显着抑制了bPP Y5激动剂诱导的大鼠食物摄取，并抑制了DIO小鼠的体重增加。

  DOI：

  10.1016/j.bmc.2009.05.064

文献信息

• Novel spiro compounds
  申请人：——

  公开号：US20020188124A1

  公开（公告）日：2002-12-12

  Compounds of the general formula (I): 1 wherein Ar 1 represents optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V, and W each independently represent nitrogen atom or optionally substituted methine group, where at least two of them represent the said methine group; X represents methine or hydroxy substituted methine; Y represents an optionally substituted imino or oxygen atom are described and claimed. These novel spiro compounds are useful as neuropeptide Y receptor antagonists and as agents for the treatment of various kinds of cardiovascular disorders, central nervous system disorders, metabolic diseases and the like.

  通式(I)的化合物： 1 其中Ar 1 代表可选地取代的芳基或杂芳基； n代表0或1； T、U、V和W各自独立地代表氮原子或可选地取代的次甲基基团，其中至少有两个代表所述次甲基基团； X代表次甲基或羟基取代的次甲基； Y代表可选地取代的亚氨基或氧原子被描述和声称。这些新型的螺环化合物作为神经肽Y受体拮抗剂以及用于治疗各种心血管疾病、中枢神经系统疾病、代谢性疾病等的药物是有用的。
• Biaryl Ether Urea Compounds
  申请人：FAY Lorraine Kathleen

  公开号：US20080261941A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式(I)的化合物或其药用可接受的盐；制备该化合物的方法；制备该化合物所用的中间体；含有该化合物的组合物；以及利用该化合物治疗与脂肪酸酰胺水解酶(FAAH)活性相关的疾病或症状。
• Spiro compounds
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US06335345B1

  公开（公告）日：2002-01-01

  Spiro compounds of the general formula (I): wherein Ar1 represents an optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V and W each represent a nitrogen atom or an optionally substituted methine group, wherein at least two of which represent said methine group; X represents methine; Y represents an optionally substituted imino or oxygen atom. These novel spiro compounds exhibit neuropeptide Y receptor (NPY) antagonistic activities and are useful as agents for the treatment of various diseases related to NPY, for example, cardiovascular disorders, central nervous system disorders, metobolic diseases and the like.

  通式（I）的螺环化合物：其中Ar1代表可选择取代的芳基或杂环芳基；n代表0或1；T、U、V和W分别代表氮原子或可选择取代的甲基基团，其中至少两个代表所述的甲基基团；X代表甲基；Y代表可选择取代的亚胺基或氧原子。这些新型螺环化合物表现出神经肽Y受体（NPY）拮抗活性，并可用作治疗与NPY相关的各种疾病的药物，例如心血管疾病、中枢神经系统疾病、代谢性疾病等。
• Spiro-indolines as Y5 receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US06191160B1

  公开（公告）日：2001-02-20

  Compounds of the general structural formula I are selective NPY Y5 receptor antagonists. The compounds and compositions of the present invention are useful in the treatment of obesity and complications associated therewith.

  通用结构式I的化合物是选择性NPY Y5受体拮抗剂。本发明的化合物和组合物在肥胖及其相关并发症的治疗中是有用的。
• [EN] SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS<br/>[FR] SPIRO-INDOLINES EN TANT QU'ANTAGONISTES DU RECEPTEUR Y5
  申请人：MERCK & CO INC

  公开号：WO2000027845A1

  公开（公告）日：2000-05-18

  Compounds of general structural formula (I) such as that shown in structural formula (II) are selective NPY Y5 receptor antagonists, useful in the treatment of obesity and the complications associated therewith.

  通用结构式（I）的化合物，例如结构式（II）所示的化合物，是选择性NPY Y5受体拮抗剂，可用于治疗肥胖及其相关并发症。