methyl N-(tert-butoxycarbonyl)-3-{3-nitro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-L-alaninate | 1380348-66-2

• 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
• 英文名称: methyl N-(tert-butoxycarbonyl)-3-{3-nitro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-L-alaninate
• 英文别名: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-nitro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propanoate
• CAS: 1380348-66-2
• 化学式: C₁₉H₂₁F₃N₄O₆
• 分子量: 458.394
• InChiKey: USWDQWYNEYSOOK-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-bromo-3-nitro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole 、 (R)-N-叔丁氧羰基-3-碘代丙氨酸甲酯 在 palladium diacetate 锌 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 42.5h， 生成 methyl N-(tert-butoxycarbonyl)-3-{3-nitro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-L-alaninate
  参考文献：
  名称：

  [EN] KAT II INHIBITORS
  [FR] INHIBITEUR DE KAT II

  摘要：

  公式I的化合物：（I）其中X、Y、Z、R1、R2、R3、R4如本文所定义，并且其药用盐，被描述为用于治疗与精神分裂症和其他精神疾病、神经退行性疾病和/或神经系统疾病相关的认知缺陷，在哺乳动物，包括人类中有效的。

  公开号：

  WO2012073143A1

文献信息

• KAT ll INHIBITORS
  申请人：Dounay Amy B.

  公开号：US20120302599A1

  公开（公告）日：2012-11-29

  Compounds of Formula I: wherein X, Y, Z, R 1 , R 2 , R 3 , R 4 are as defined herein, and pharmaceutically acceptable salts thereof, are described as useful for the treatment of cognitive deficits associated with schizophrenia and other psychiatric, neurodegenerative and/or neurological disorders in mammals, including humans.

  公式I的化合物：其中X，Y，Z，R1，R2，R3，R4如此定义，并且其药学上可接受的盐，被描述为对哺乳动物，包括人类，治疗与精神分裂症和其他精神，神经退行性和/或神经系统疾病相关的认知缺陷有用。
• Thermolysin for easy-cleaning of insect body stains
  申请人：Toyota Motor Engineering & Manufacturing North America, Inc.

  公开号：US10767141B2

  公开（公告）日：2020-09-08

  A substrate or coating is provided that includes a protease with enzymatic activity toward a component of a biological stain. Also provided is a process for facilitating the removal of a biological stain is provided wherein an inventive substrate or coating including a protease is capable of enzymatically degrading of one or more components of the biological stain to facilitate biological stain removal from the substrate or said coating.

  本发明提供了一种基质或涂层，其中包括一种对生物污渍的一种成分具有酶活性的蛋白酶。还提供了一种促进生物污渍去除的工艺，其中包括蛋白酶的本发明基底或涂层能够酶解生物污渍的一种或多种成分，以促进生物污渍从基底或所述涂层中去除。
• KAT II INHIBITORS
  申请人：Pfizer Inc.

  公开号：EP2646443B1

  公开（公告）日：2014-09-24
• THERMOLYSIN FOR EASY-CLEANING OF INSECT BODY STAINS
  申请人：Wu Songtao

  公开号：US20120301946A1

  公开（公告）日：2012-11-29

  A substrate or coating is provided that includes a protease with enzymatic activity toward a component of a biological stain. Also provided is a process for facilitating the removal of a biological stain is provided wherein an inventive substrate or coating including a protease is capable of enzymatically degrading of one or more components of the biological stain to facilitate biological stain removal from the substrate or said coating.
• Thermolysin For Easy-Cleaning Of Insect Body Stains
  申请人：Toyota Motor Engineering & Manufacturing North America, Inc.

  公开号：US20190153360A1

  公开（公告）日：2019-05-23

  A liquid coating material and processes of its use are provided that includes an enzyme with enzymatic activity toward a component of a biological stain and a polymeric material. Also provided are processes for facilitating the removal of a biological stain wherein an inventive liquid coating material including an enzyme is capable of enzymatically degrading of one or more components of the biological stain to facilitate biological stain removal from a substrate or coating upon which the biological stain is contacting.