(1S*,2S*)-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-2-carboxylic acid | 1248314-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (1S*,2S*)-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-2-carboxylic acid
• 英文别名: 3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-carboxylic acid；spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
• CAS: 1248314-77-3
• 化学式: C₁₃H₁₄O₂
• mdl: MFCD16744580
• 分子量: 202.253
• InChiKey: WVRLFWFGLWUZBD-UHFFFAOYSA-N

物化性质

• 沸点：
  378.0±21.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3S)-3-[(5S)-6-azaspiro[2.5]octan-5-ylformamido]-N-cyclopropyl-2-hydroxy-4-[(3S)- 2-oxopyrrolidin-3-yl]butanamide 、 (1S*,2S*)-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-2-carboxylic acid 在 N-羟基-7-氮杂苯并三氮唑 、 ethylene dichloride hydrochloride 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以59 %的产率得到(5S)-N-((2S)- 4-(cyclopropylamino)-3-hydroxy-4-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-6-((1S*,2S*)-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-2-carbonyl)-6- azaspiro[2.5]octane-5-carboxamide
  参考文献：
  名称：

  [EN] ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS
  [FR] COMPOSÉS ANTIVIRAUX POUR LE TRAITEMENT D'INFECTIONS À CORONAVIRUS, PICORNAVIRUS ET NOROVIRUS

  摘要：

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating coronavirus, picornavirus and norovirus infections with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.

  公开号：

  WO2023043816A1
• 作为产物：
  描述：

  ethyl spiro[cyclopropane-2,1'-tetralin]-1-carboxylate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (1S*,2S*)-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-2-carboxylic acid
  参考文献：
  名称：

  [EN] ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS
  [FR] COMPOSÉS ANTIVIRAUX POUR LE TRAITEMENT D'INFECTIONS À CORONAVIRUS, PICORNAVIRUS ET NOROVIRUS

  摘要：

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating coronavirus, picornavirus and norovirus infections with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.

  公开号：

  WO2023043816A1

文献信息

• [EN] SPIROCYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A<br/>[FR] DÉRIVÉS DE SPIROCYCLOPROPYLAMINE UTILES EN TANT QU'INHIBITEURS D'HISTONE DÉMÉTHYLASES KDM1A
  申请人：IEO - ST EUROPEO DI ONCOLOGIA S R L

  公开号：WO2017109061A1

  公开（公告）日：2017-06-29

  The present invention relates to provided spirocyclopropylamine compounds, endowed with a potent KDM1A (LSD1) inhibitory activity, wherein X, R, and R1 are as defined in the specification, pharmaceutical compositions containing such compounds and to their use in therapy.

  本发明涉及提供的螺环环丙胺化合物，具有强效的KDM1A（LSD1）抑制活性，其中X、R和R1如规范中所定义，包含这种化合物的药物组合物以及它们在治疗中的应用。