4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide | 259809-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide
• CAS: 259809-33-1
• 化学式: C₁₆H₁₈ClN₃O₃S
• 分子量: 367.856
• InChiKey: JJKVYRQPFKYOIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 4,5,6,7-四氢-5-甲基-噻唑并[5,4-c]吡啶 、 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide 在 正丁基锂 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
  参考文献：
  名称：

  Orally active factor Xa inhibitors: 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine derivatives

  摘要：

  In our investigation of factor Xa inhibitors, a series of 1-(6-chloronaphthalen-2-yl)sulfonyl-4-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carbonyl)piperazines 3a-i were synthesized. In vitro inhibitory activities of the compounds against factor Xa and coagulation are summarized. Among the compounds, 3c and 3d, possessing a carbamoyl or N-methylcarbamoyl moiety, showed potent inhibitory activities when administered orally to rats. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.036
• 作为产物：
  描述：

  2-氯萘 在 盐酸 、 sodium hydroxide 、 氯化亚砜 、 硫酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide
  参考文献：
  名称：

  Orally active factor Xa inhibitors: 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine derivatives

  摘要：

  In our investigation of factor Xa inhibitors, a series of 1-(6-chloronaphthalen-2-yl)sulfonyl-4-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carbonyl)piperazines 3a-i were synthesized. In vitro inhibitory activities of the compounds against factor Xa and coagulation are summarized. Among the compounds, 3c and 3d, possessing a carbamoyl or N-methylcarbamoyl moiety, showed potent inhibitory activities when administered orally to rats. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.036

文献信息

• Orally active factor Xa inhibitors: 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine derivatives
  作者：Noriyasu Haginoya、Syozo Kobayashi、Satoshi Komoriya、Yumiko Hirokawa、Taketoshi Furugori、Takayasu Nagahara

  DOI：10.1016/j.bmcl.2004.03.036

  日期：2004.6

  In our investigation of factor Xa inhibitors, a series of 1-(6-chloronaphthalen-2-yl)sulfonyl-4-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carbonyl)piperazines 3a-i were synthesized. In vitro inhibitory activities of the compounds against factor Xa and coagulation are summarized. Among the compounds, 3c and 3d, possessing a carbamoyl or N-methylcarbamoyl moiety, showed potent inhibitory activities when administered orally to rats. (C) 2004 Elsevier Ltd. All rights reserved.