4-Bromo-6-isopropyl-1H-indazole | 1000343-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 4-Bromo-6-isopropyl-1H-indazole
• 英文别名: 4-bromo-6-propan-2-yl-1H-indazole
• CAS: 1000343-77-0
• 化学式: C₁₀H₁₁BrN₂
• 分子量: 239.115
• InChiKey: NYDJQPUBMSAYTO-UHFFFAOYSA-N

物化性质

• 沸点：
  349.7±22.0 °C(Predicted)
• 密度：
  1.481±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Bromo-6-isopropyl-1H-indazole 、 苯硼酸 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 sodium carbonate 作用下， 生成 4-phenyl-6-propan-2-yl-1H-indazole
  参考文献：
  名称：

  Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design—Part 1

  摘要：

  Methionine aminopeptidase 2 (MetAP2) is an enzyme that cleaves an N-terminal methionine residue from a number of newly synthesized proteins. Pre-clinical and clinical studies suggest that MetAP2 inhibitors could be used as a novel treatment for obesity. Herein we describe our use of fragment screening methods and structural biology to quickly identify and elaborate an indazole fragment into a series of reversible MetAP2 inhibitors with < 10 nM potency, excellent selectivity, and favorable in vitro safety profiles. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.04.073

文献信息

• Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design—Part 1
  作者：Zacharia Cheruvallath、Mingnam Tang、Christopher McBride、Mallareddy Komandla、Joanne Miura、Thu Ton-Nu、Phil Erikson、Jun Feng、Pamela Farrell、J. David Lawson、Darin Vanderpool、Yiqin Wu、Douglas R. Dougan、Artur Plonowski、Corine Holub、Chris Larson

  DOI：10.1016/j.bmcl.2016.04.073

  日期：2016.6

  Methionine aminopeptidase 2 (MetAP2) is an enzyme that cleaves an N-terminal methionine residue from a number of newly synthesized proteins. Pre-clinical and clinical studies suggest that MetAP2 inhibitors could be used as a novel treatment for obesity. Herein we describe our use of fragment screening methods and structural biology to quickly identify and elaborate an indazole fragment into a series of reversible MetAP2 inhibitors with < 10 nM potency, excellent selectivity, and favorable in vitro safety profiles. (C) 2016 Elsevier Ltd. All rights reserved.