1,3-Propanediamine, N1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N1-phenyl- | 1259398-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1,3-Propanediamine, N1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N1-phenyl-
• 英文别名: N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N'-phenylpropane-1,3-diamine
• CAS: 1259398-63-4
• 化学式: C₁₆H₁₇N₃O₂S
• 分子量: 315.396
• InChiKey: LOFYJUOVSYQZMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-吡啶甲酰氯 、 1,3-Propanediamine, N1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N1-phenyl- 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-[3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl]pyridine-2-carboxamide
  参考文献：
  名称：

  N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1

  摘要：

  We report the synthesis and in vitro activity of a series of novel N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several compounds, including compound 8b, showed similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.132
• 作为产物：
  描述：

  tert-butyl (3-((1,1-dioxidobenzo[d]isothiazol-3-yl)(phenyl)amino)propyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,3-Propanediamine, N1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N1-phenyl-
  参考文献：
  名称：

  N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1

  摘要：

  We report the synthesis and in vitro activity of a series of novel N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several compounds, including compound 8b, showed similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.132

文献信息

• N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1
  作者：Curt D. Haffner、Stephen A. Thomson、Yu Guo、Lee T. Schaller、Sharon Boggs、Scott Dickerson、Jeff Gobel、Dan Gillie、J. Patrick Condreay

  DOI：10.1016/j.bmcl.2010.09.132

  日期：2010.12

  We report the synthesis and in vitro activity of a series of novel N-3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several compounds, including compound 8b, showed similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. (C) 2010 Published by Elsevier Ltd.