3-氟-5-(4-甲基吡啶-3-基)苯胺 | 791644-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氟-5-(4-甲基吡啶-3-基)苯胺
• 英文名称: 3-Fluoro-5-(4-methyl-pyridin-3-yl)-phenylamine
• 英文别名: 3-Fluoro-5-(4-methylpyridin-3-yl)aniline
• CAS: 791644-60-5
• 化学式: C₁₂H₁₁FN₂
• 分子量: 202.231
• InChiKey: MULBAHMTLUZJPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-N'-[(1E)-pyridin-2-ylmethylene]benzenesulfonohydrazide 、 3-氟-5-(4-甲基吡啶-3-基)苯胺 在 盐酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-4-methyl-pyridine
  参考文献：
  名称：

  Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity

  摘要：

  Structure-activity relationship studies focused on bio-isosteric replacements of 2-pyridyl resulted in mGlu5 receptor antagonists with reduced inhibition of cytochrome P450 1A2. This led to highly potent, selective and orally bioavailable 2-imidazolyl tetrazoles such as (10) that are devoid of cytochrome P450 inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.018

文献信息

• Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity
  作者：Nicholas D. Smith、Steve F. Poon、Dehua Huang、Mitchell Green、Christopher King、Lida Tehrani、Jeffrey R. Roppe、Janice Chung、Deborah P. Chapman、Merryl Cramer、Nicholas D.P. Cosford

  DOI：10.1016/j.bmcl.2004.09.018

  日期：2004.11

  Structure-activity relationship studies focused on bio-isosteric replacements of 2-pyridyl resulted in mGlu5 receptor antagonists with reduced inhibition of cytochrome P450 1A2. This led to highly potent, selective and orally bioavailable 2-imidazolyl tetrazoles such as (10) that are devoid of cytochrome P450 inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.