1,1-Dimethylethyl 4-[[(chlorocarbonyl)oxy]methyl]-1-piperidinecarboxylate | 267242-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,1-Dimethylethyl 4-[[(chlorocarbonyl)oxy]methyl]-1-piperidinecarboxylate
• 英文别名: tert-butyl 4-(carbonochloridoyloxymethyl)piperidine-1-carboxylate
• CAS: 267242-20-6
• 化学式: C₁₂H₂₀ClNO₄
• 分子量: 277.748
• InChiKey: LZRFVGNFIRFMHM-UHFFFAOYSA-N

物化性质

• 沸点：
  345.3±15.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-Dimethylethyl 4-[[(chlorocarbonyl)oxy]methyl]-1-piperidinecarboxylate 在 吡啶 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 4-(6-Carboxymethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-ylcarbamoyloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Fused bicyclic Gly-Asp β-turn mimics with potent affinity for GPIIb-IIIa. Exploration of the arginine isostere

  摘要：

  6-[4-Amidinobenzoyl]amino]-tetralone acid is a potent antagonist of GPIIb-IIIa. substitution in the meta position of the benzamidine, or replacement with a heteroaryl amidine was tolerated in this series. Use of an acyl-linked 4-alkyl piperidine as an arginine isostere also provided active compounds. Compounds from this series provided substantial systemic exposure in the rat following oral administration. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00008-1
• 作为产物：
  描述：

  光气 、 N-Boc-4-哌啶甲醇 生成 1,1-Dimethylethyl 4-[[(chlorocarbonyl)oxy]methyl]-1-piperidinecarboxylate
  参考文献：
  名称：

  Fused bicyclic Gly-Asp β-turn mimics with potent affinity for GPIIb-IIIa. Exploration of the arginine isostere

  摘要：

  6-[4-Amidinobenzoyl]amino]-tetralone acid is a potent antagonist of GPIIb-IIIa. substitution in the meta position of the benzamidine, or replacement with a heteroaryl amidine was tolerated in this series. Use of an acyl-linked 4-alkyl piperidine as an arginine isostere also provided active compounds. Compounds from this series provided substantial systemic exposure in the rat following oral administration. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00008-1

文献信息

• FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3431471A1

  公开（公告）日：2019-01-23

  Provided are a compound represented by formula I, a raceme thereof, an R-isomer thereof, an S-isomer thereof, a pharmaceutical salt thereof, and a mixture thereof, a preparation method therefor, a pharmaceutical composition comprising the compound, and uses thereof serving as an lysine specific demethylase 1 (LSD1) inhibitor. Provided are uses of the fluorinated cyclopropylamine compound represented by formula I in the treatment of cancers.

  提供一种由式 I 代表的化合物、其外消旋体、其 R-异构体、其 S-异构体、其药用盐和其混合物、其制备方法、包含该化合物的药物组合物以及其作为赖氨酸特异性去甲基化酶 1（LSD1）抑制剂的用途。提供了式 I 所代表的氟化环丙胺化合物在治疗癌症中的用途。
• Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US10836743B2

  公开（公告）日：2020-11-17

  Provided is a fluorinated cyclopropylamine compound represented by formula I, a racemate thereof, an R-isomer thereof, an S-isomer thereof, a pharmaceutical salt thereof, and a mixture thereof. Also provided are pharmaceutical compositions containing the compound, a preparation method for the compound, and uses thereof as a lysine specific demethylase 1 (LSD1) inhibitor, and in the treatment of cancers.

  本发明提供了一种由式 I 代表的氟化环丙胺化合物、其外消旋体、其 R-异构体、其 S-异构体、其药用盐以及其混合物。还提供了含有该化合物的药物组合物、该化合物的制备方法，以及其作为赖氨酸特异性去甲基化酶 1（LSD1）抑制剂和治疗癌症的用途。
• FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20190100507A1

  公开（公告）日：2019-04-04

  Provided is a fluorinated cyclopropylamine compound represented by formula I, a racemate thereof, an R-isomer thereof, an S-isomer thereof, a pharmaceutical salt thereof, and a mixture thereof. Also provided are pharmaceutical compositions containing the compound, a preparation method for the compound, and uses thereof as a lysine specific demethylase 1 (LSD1) inhibitor, and in the treatment of cancers.