N-[(5-isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[(5-isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide
• 英文别名: N-[(5-Isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide；N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
• 化学式: C₂₁H₂₅N₃O₂S
• 分子量: 383.514
• InChiKey: ZYYWHOYJTDUWTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲基-3-己醇 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 silica gel 、 二异丁基氢化铝 、 三乙胺 、 pyridinium chlorochromate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 33.25h， 生成 N-[(5-isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide
  参考文献：
  名称：

  COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME

  摘要：

  本文披露了一种N-(吡唑甲基)芳基磺酰胺衍生物，可用作钙离子通道阻滞剂，其药用盐，以及利用其钙离子通道阻滞效应作为治疗剂的药用。

  公开号：

  US20150329533A1

文献信息

• Synthesis and diabetic neuropathic pain-alleviating effects of 2N-(pyrazol-3-yl)methylbenzo[d]isothiazole-1,1-dioxide derivatives
  作者：Jin Ri Hong、Young Jin Choi、Gyochang Keum、Ghilsoo Nam

  DOI：10.1016/j.bmc.2017.07.008

  日期：2017.9

  A novel series of fused-benzensulfonamide 2-N-(pyrazol-3-yl)methylbenzoldlisothiazole-1,1-dioxide derivatives was designed and synthesized as metabolically stable T-type calcium channel inhibitors. Several compounds, 9, 10, and 17, displayed potent T-type channel inhibitory activity. Among them, compounds 10 and 17 showed good metabolic stability in human liver microsomes, and low hERG channel and CYP450 inhibition. Compound 10 exhibited diabetic neuropathic pain-alleviating effects in a streptozotocin-induced peripheral diabetic neuropathy (PDN) model. The maximum efficacy of compound 10, which was 3-fold more potent than gabapentin, was observed at 1 h after administration, and co administration of compound 10 with gabapentin showed a considerable synergic effect. (C) 2017 Elsevier Ltd. All rights reserved.
• US9493423B2
  申请人：——

  公开号：US9493423B2

  公开（公告）日：2016-11-15
• COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20150329533A1

  公开（公告）日：2015-11-19

  Disclosed herein are an N-(pyrazolylmethyl)arylsulfonamide derivative useful as a calcium ion channel blocker, a pharmaceutically acceptable salt thereof, and the medicinal use thereof as a therapeutic agent using its calcium ion channel blocking effect.

  本文披露了一种N-(吡唑甲基)芳基磺酰胺衍生物，可用作钙离子通道阻滞剂，其药用盐，以及利用其钙离子通道阻滞效应作为治疗剂的药用。