7-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene | 80509-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
• 英文别名: 7-n-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene；2H-Pyrimido[1,2-a]pyrimidine, 1-butyl-1,3,4,6,7,8-hexahydro-；1-butyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
• CAS: 80509-86-0
• 化学式: C₁₁H₂₁N₃
• 分子量: 195.308
• InChiKey: HLLMKZXNMQWDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  18.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  六氟乙酰丙酮 、 7-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene 以100%的产率得到1,1,1,5,5,5-hexafluoropentane-2,4-dione compound with 1-butyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (1:1)
  参考文献：
  名称：

  Superbase-derived protic ionic liquids with chelating fluorinated anions

  摘要：

  Eighteen new protic ionic liquids were synthesized in one step from five organic superbases and five commercially available fluorinated beta-diketones. Physical properties of the ionic liquids, including thermal decomposition temperature were determined. Nine of the ionic liquids were examined as extraction media for La3+, with some very large distribution coefficients obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.037
• 作为产物：
  描述：

  正溴丁烷 、 1,5,7-三氮杂双环[4.4.0]癸-5-烯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以47%的产率得到7-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
  参考文献：
  名称：

  Superbase-derived protic ionic liquids with chelating fluorinated anions

  摘要：

  Eighteen new protic ionic liquids were synthesized in one step from five organic superbases and five commercially available fluorinated beta-diketones. Physical properties of the ionic liquids, including thermal decomposition temperature were determined. Nine of the ionic liquids were examined as extraction media for La3+, with some very large distribution coefficients obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.037

文献信息

• 5-Lipoxygenase-Activating Protein Inhibitor
  申请人：SCHAAB Kevin Murray

  公开号：US20090291981A1

  公开（公告）日：2009-11-26

  Described herein is the FLAP inhibitor 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, including solvates, and polymorphs thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory conditions or diseases, as well as other leukotriene-dependent or leukotriene mediated conditions or diseases.

  描述了一种FLAP抑制剂：3-[3-叔丁基硫基-1-[4-(6-乙氧基-吡啶-3-基)-苄基]-5-(5-甲基-吡啶-2-基甲氧基)-1H-吲哚-2-基]-2,2-二甲基丙酸，或其药用可接受盐。还描述了制备该FLAP抑制剂的方法，或其药用可接受盐，包括水合物和其多晶型。还描述了适合给予哺乳动物的药物组合物，包括FLAP抑制剂，或其药用可接受盐，以及使用此类药物组合物治疗呼吸系统疾病或疾病的方法，以及治疗其他白三烯依赖性或白三烯介导的条件或疾病的方法。
• [EN] PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE SELS DE SULFONATE DE FLUORALKYLE
  申请人：SOLVAY SPECIALTY POLYMERS IT

  公开号：WO2015049239A1

  公开（公告）日：2015-04-09

  A process for the preparation of the fluoroalkyl sulfonate salt of a nitrogen-based organic base said process comprising the step of reacting a fluoroalkyl sulfonyl halide with an organic base selected from the group consisting of tertiary amines, pyridines, amidines and guanidines.

  一种制备氟烷基磺酸盐的氮基有机碱的过程，该过程包括将氟烷基磺酰卤与从三级胺、吡啶、脲和胍组成的有机碱反应的步骤。
• DP2 Antagonist and Uses Thereof
  申请人：BRITTAIN Jason Edward

  公开号：US20110034558A1

  公开（公告）日：2011-02-10

  Described herein is the DP 2 antagonist [2′-(3-benzyl-1-ethyl-ureidomethyl)-6-methoxy-4′-trifluoromethyl-biphenyl-3-yl]-acetic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the DP2 antagonist, or a pharmaceutically acceptable salt thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the DP 2 antagonist, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory diseases or conditions, allergic diseases or conditions, inflammatory diseases or conditions, as well as other prostaglandin D 2 -dependent or prostaglandin D 2 -mediated diseases or conditions.

  本文描述了DP2拮抗剂[2'-(3-苄基-1-乙基-脲甲基)-6-甲氧基-4'-三氟甲基-联苯-3-基]-乙酸，或其药用盐。还描述了制备DP2拮抗剂或其药用盐的方法。本文还描述了适合用于哺乳动物的药物组合物，包括DP2拮抗剂或其药用盐，并描述了使用这种药物组合物治疗呼吸道疾病或症状、过敏性疾病或症状、炎症性疾病或症状，以及其他前列腺素D2依赖性或前列腺素D2介导的疾病或症状的方法。
• 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITOR
  申请人：REWOLINSKI Melissa Virginia

  公开号：US20100075934A1

  公开（公告）日：2010-03-25

  Described herein are methods for the synthesis of 3-[5-(pyridin-2-ylmethoxy)-3-(2-methyl-2-propylthio)-1-[4-(2-methoxypyridin-5-yl)benzyl]-indol-2-yl]-2,2-dimethyl-propionic acid, pharmaceutically acceptable salts, pharmaceutically acceptable solvates thereof. Also described are pharmaceutical compositions suitable for oral administration to a mammal that include, as well as methods of using such oral pharmaceutical compositions for treating respiratory conditions or diseases, as well as other leukotriene-dependent or leukotriene mediated conditions or diseases.

  本文描述了一种合成3-[5-(吡啶-2-基甲氧基)-3-(2-甲基-2-丙基硫)-1-[4-(2-甲氧基吡啶-5-基)苯基]-吲哚-2-基]-2,2-二甲基丙酸及其药学上可接受的盐和可接受的溶剂的方法。还描述了适用于口服给哺乳动物的药物组合物，以及使用这种口服药物组合物治疗呼吸道疾病或疾病以及其他白三烯依赖性或白三烯介导的疾病或疾病的方法。
• 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITOR
  申请人：Schaab Kevin Murray

  公开号：US20110160249A1

  公开（公告）日：2011-06-30

  A pharmaceutically acceptable salt comprising 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate as the anion and a cation selected from Na + , K + , Li + , Ca 2+ , NH 4 + , the protonated form of dicyclohexylamine, the protonated form of N-methyl-D-glucamine, the protonated form of tris(hydroxymethyl)methylamine, the protonated form of arginine, and the protonated form of lysine is disclosed, along with formulations and methods of using the same.

  本发明涉及一种药物可接受的盐，其包括3-[3-叔丁基磺酰基-1-[4-(6-乙氧基吡啶-3-基)-苄基]-5-(5-甲基吡啶-2-基甲氧基)-1H-吲哚-2-基]-2,2-二甲基丙酸根离子和从Na+、K+、Li+、Ca2+、NH4+、二环己基胺质子化形式、N-甲基-D-葡萄糖胺质子化形式、三羟甲基甲基胺质子化形式、精氨酸质子化形式和赖氨酸质子化形式中选择的阳离子，以及使用它们的制剂和方法。