5-Isopropyl-pyridine-2-sulfonic acid [6-(3-amino-propoxy)-2-cyclopropyl-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide | 329925-26-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Isopropyl-pyridine-2-sulfonic acid [6-(3-amino-propoxy)-2-cyclopropyl-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
• 英文别名: N-[6-(3-aminopropoxy)-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
• CAS: 329925-26-0
• 化学式: C₂₅H₃₁N₅O₅S
• 分子量: 513.618
• InChiKey: XJHVJEOGYJHLMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  丙基磺酰氯 、 5-Isopropyl-pyridine-2-sulfonic acid [6-(3-amino-propoxy)-2-cyclopropyl-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide 在 base 作用下， 以 二氯甲烷 为溶剂， 生成 5-i.-propyl-N-[6-(3-(propanesulfonylamino)-propoxy)-5-(o-methoxyphenoxy)-2-cyclopropyl-4-pyrimidinyl]-pyridine-2-sulfonamide
  参考文献：
  名称：

  Bis-sulfonamides as endothelin receptor antagonists

  摘要：

  Modification of the structure of bosentan 1, the first marketed endothelin receptor antagonist (Tracleer(TM)), by introduction of a second sulfonamide function at the alkoxy side chain, led to bis-sulfonamides 2. This allowed to prepare dual ETA/ETB as well as ETB receptor selective antagonists, which could serve as tools to investigate the pharmacological consequences of selective ETB receptor blockade. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01083-1
• 作为产物：
  描述：

  4,6-dichloro-5-(2-methoxyphenoxy)-2-cyclopropyl-pyrimidine 在 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-Isopropyl-pyridine-2-sulfonic acid [6-(3-amino-propoxy)-2-cyclopropyl-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
  参考文献：
  名称：

  Bis-sulfonamides as endothelin receptor antagonists

  摘要：

  Modification of the structure of bosentan 1, the first marketed endothelin receptor antagonist (Tracleer(TM)), by introduction of a second sulfonamide function at the alkoxy side chain, led to bis-sulfonamides 2. This allowed to prepare dual ETA/ETB as well as ETB receptor selective antagonists, which could serve as tools to investigate the pharmacological consequences of selective ETB receptor blockade. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01083-1

文献信息

• BIS-SULFONAMIDES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1137642A1

  公开（公告）日：2001-10-04
• US6596719B1
  申请人：——

  公开号：US6596719B1

  公开（公告）日：2003-07-22
• [EN] BIS-SULFONAMIDES<br/>[FR] BIS-SULFONAMIDES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2001017976A1

  公开（公告）日：2001-03-15

  The invention relates to novel bis-sulfonamides and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as endothelin antagonists.