tert-butyl (4-(3-amino-1H-pyrazol-5-yl)phenyl)carbamate | 1870901-39-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl (4-(3-amino-1H-pyrazol-5-yl)phenyl)carbamate
• 英文别名: Carbamic acid, N-[4-(5-amino-1H-pyrazol-3-yl)phenyl]-, 1,1-dimethylethyl ester；tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate
• CAS: 1870901-39-5
• 化学式: C₁₄H₁₈N₄O₂
• 分子量: 274.323
• InChiKey: RCONOSRGEQSAKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-(3-amino-1H-pyrazol-5-yl)phenyl)carbamate 在 2,6-二甲基吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.17h， 生成
  参考文献：
  名称：

  Evolution of a New Class of VEGFR-2 Inhibitors from Scaffold Morphing and Redesign

  摘要：

  Anti-VEGF therapy is a clinically validated treatment for age-related macular degeneration (AMD). We have recently reported the discovery of oral VEGFR-2 inhibitors that are selectively distributed to the ocular tissues. Herein we report a further development of those compounds and in particular the validation of the hypothesis that aminoheterocycles such as aminoisoxazoles and aminopyrazoles could also function as effective "hinge" binding moieties leading to a new class of KDR (kinase insert domain containing receptor) inhibitors.

  DOI：

  10.1021/acsmedchemlett.5b00486
• 作为产物：
  描述：

  4-(叔丁氧基羰基氨基)苯甲酸甲酯 在 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 tert-butyl (4-(3-amino-1H-pyrazol-5-yl)phenyl)carbamate
  参考文献：
  名称：

  Evolution of a New Class of VEGFR-2 Inhibitors from Scaffold Morphing and Redesign

  摘要：

  Anti-VEGF therapy is a clinically validated treatment for age-related macular degeneration (AMD). We have recently reported the discovery of oral VEGFR-2 inhibitors that are selectively distributed to the ocular tissues. Herein we report a further development of those compounds and in particular the validation of the hypothesis that aminoheterocycles such as aminoisoxazoles and aminopyrazoles could also function as effective "hinge" binding moieties leading to a new class of KDR (kinase insert domain containing receptor) inhibitors.

  DOI：

  10.1021/acsmedchemlett.5b00486

文献信息

• RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS
  申请人：Janssen Sciences Ireland UC

  公开号：US20180105529A1

  公开（公告）日：2018-04-19

  The invention concerns novel substituted pyrazolo- and triazolo-pyrimidine compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns pharmaceutical compositions comprising these compounds and the compounds for use in the treatment of respiratory syncytial virus infection.