7-[(叔丁氧基)羰基]-7-氮杂双环[2.2.1]庚烷-1-羧酸 | 441353-52-2

• 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
• 中文名称: 7-[(叔丁氧基)羰基]-7-氮杂双环[2.2.1]庚烷-1-羧酸
• 英文名称: Boc-Ach-OH
• 英文别名: 7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid；7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
• CAS: 441353-52-2
• 化学式: C₁₂H₁₉NO₄
• mdl: MFCD13806418
• 分子量: 241.287
• InChiKey: BJFKJHVXBIQTLW-UHFFFAOYSA-N

物化性质

• 沸点：
  363.3±25.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-[(叔丁氧基)羰基]-7-氮杂双环[2.2.1]庚烷-1-羧酸 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 5.75h， 生成 1-(3-methylisoxazol-5-yl)-7-azabicyclo[2.2.1]heptane
  参考文献：
  名称：

  Synthesis, activity and theoretical study of ABT-418 analogues

  摘要：

  This report shows the synthesis and biological evaluation of two new conformationally restricted ABT-418 analogues. This restriction is introduced by the incorporation of the 7-azabicyclo[2.2.1]heptane skeleton. Furthermore, we report here a high-level quantum mechanical study of their conformations in the gas phase. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00388-5
• 作为产物：
  描述：

  7-benzyl-1-hydroxymethyl-7-azabicyclo[2.2.1]heptane 在 palladium dihydroxide jones reagent 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 20.0h， 生成 7-[(叔丁氧基)羰基]-7-氮杂双环[2.2.1]庚烷-1-羧酸
  参考文献：
  名称：

  Synthesis, activity and theoretical study of ABT-418 analogues

  摘要：

  This report shows the synthesis and biological evaluation of two new conformationally restricted ABT-418 analogues. This restriction is introduced by the incorporation of the 7-azabicyclo[2.2.1]heptane skeleton. Furthermore, we report here a high-level quantum mechanical study of their conformations in the gas phase. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00388-5

文献信息

• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• [EN] POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HIV INFECTIONS<br/>[FR] COMPOSÉS DE CARBAMOYLPYRIDONE POLYCYCLIQUE ET LEUR UTILISATION POUR LE TRAITEMENT DES INFECTIONS À VIH
  申请人：GILEAD SCIENCES INC

  公开号：WO2015006733A1

  公开（公告）日：2015-01-15

  Compounds for use in the treatment of human immunodeficiency virus (HIV) infection are disclosed. The compounds have the following Formula (I): (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein L, R1, R5, W, X, Y1, Y2, and Z are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明涉及用于治疗人类免疫缺陷病毒（HIV）感染的化合物。这些化合物具有以下化学式（I）：（I），包括立体异构体和其药用可接受盐，其中L、R1、R5、W、X、Y1、Y2和Z如本文所定义。本发明还涉及与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。
• [EN] SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C<br/>[FR] INHIBITEURS 1-ACIDE CARBOXYLIQUE (BENZYL-CYANO-METHYL)-AMIDES BICYCLIQUES SUBSTITUÉS DE LA CATHÉPSINE C
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014140081A1

  公开（公告）日：2014-09-18

  This invention relates to bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and their use in methods of treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

  这项发明涉及公式1的双环1-羧酸（苄基-氰甲基）酰胺及其作为Cathepsin C抑制剂的用途，含有这些化合物的药物组合物，以及它们在与二肽基肽酶I活性相关的疾病的治疗和/或预防方法中的应用，例如呼吸道疾病。
• [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS<br/>[FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR COMPLÉMENT
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2022066774A1

  公开（公告）日：2022-03-31

  This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement C1-mediated disorders.

  这份披露提供了用于治疗医学障碍的药物化合物，例如补体介导的障碍，包括补体C1介导的障碍。