3-(叔-丁基)-5-甲基苯胺 | 6399-08-2

• 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: 3-(叔-丁基)-5-甲基苯胺
• 英文名称: 3-Methyl-5-tert.-butyl-anilin
• 英文别名: 3-Tert-butyl-5-methylbenzenamine；3-tert-butyl-5-methylaniline
• CAS: 6399-08-2
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: LSXDQNJHRUWHLK-UHFFFAOYSA-N

物化性质

• 沸点：
  133-134 °C(Press: 17 Torr)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(叔-丁基)-5-甲基苯胺 生成 5-叔丁基对甲酚
  参考文献：
  名称：

  Amination of m-dialkylbenzenes with trichloramine-aluminum chloride

  摘要：

  DOI：

  10.1021/jo01278a015
• 作为产物：
  描述：

  3-叔丁基甲苯 生成 3-(叔-丁基)-5-甲基苯胺
  参考文献：
  名称：

  Amination of m-dialkylbenzenes with trichloramine-aluminum chloride

  摘要：

  DOI：

  10.1021/jo01278a015

文献信息

• Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10479793B2

  公开（公告）日：2019-11-19

  Compounds of formula I or a stereoisomer or pharmaceutically-acceptable salt thereof, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  式 I 的化合物或其立体异构体或药学上可接受的盐，通过作用于 Tyk-2，导致信号转导抑制，可用于调节 IL-12、IL-23 和/或 IFNα。
• Dubinin; Koshewnikowa, Zhurnal Obshchei Khimii, 1951, vol. 21, p. 662,666; engl. Ausg. S. 731, 734
  作者：Dubinin、Koshewnikowa

  DOI：——

  日期：——
• CYTOKINE INHIBITORS
  申请人：iTherX Pharma, Inc.

  公开号：EP1670787B1

  公开（公告）日：2012-05-30
• SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS
  申请人：Karos Pharmaceuticals, Inc.

  公开号：US20170095476A1

  公开（公告）日：2017-04-06

  The present invention is directed to spirocyclic compounds which are inhibitors of tryptophan hydroxylase (TPH), particularly isoform 1 (TPH1), that are useful in the treatment of diseases or disorders associated with peripheral serotonin including, for example, gastrointestinal, cardiovascular, pulmonary, inflammatory, metabolic, and low bone mass diseases, as well as serotonin syndrome, and cancer.
• BIOMARKER FOR ASSESSING THE RISK OF DEVELOPING ACUTE COVID-19 AND POST-ACUTE COVID-19
  申请人：Omeros Corporation

  公开号：US20220308056A1

  公开（公告）日：2022-09-29

  Disclosed herein are compositions, kits and methods for determining the concentration of fluid-phase MASP-2/C1-INH complex in a biological fluid, such as a biological fluid obtained from a subject infected with SARS-CoV-2. Also disclosed are methods of using said compositions, methods and kits for detection of MASP-2/C1-INH complex to determine the status of lectin pathway activation in a mammalian subject and thereby assess the risk of a subject that is or has been infected with SARS-CoV-2 for developing COVID-19-related ARDS or other poor outcome, or determine the need for treatment or efficacy of treatment of a subject in need thereof with a complement inhibitor such as a MASP-2 inhibitory agent.