TAK-225 | 152537-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并哒嗪类
• 英文名称: TAK-225
• 英文别名: 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-oxymethyl]butanesulfonamide；6-(2,2-diethyl-3-sulfamoyl-1-propoxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine；1-Butanesulfonamide, 2-ethyl-2-(((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)methyl)-；2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]butane-1-sulfonamide
• CAS: 152537-59-2
• 化学式: C₁₃H₂₁N₅O₃S
• 分子量: 327.407
• InChiKey: OQGLMJWGJNCHNA-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：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲基-6-氯哒嗪 在 PPA 、 盐酸羟胺 、 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 19.0h， 生成 TAK-225
  参考文献：
  名称：

  Synthetic Studies on Condensed-Azole Derivatives. V. Synthesis and Anti-asthmatic Activities of .OMEGA.-Sulfamoylalkyloxy(1,2,4)triazolo(1,5-b)pyridazines.

  摘要：

  一系列新型[1, 2, 4]三唑并[1, 5-b]吡哒嗪-6-基氧烷基磺酰胺被合成并评估了其抑制血小板活化因子（PAF）诱导的豚鼠支气管收缩的能力。在侧链中，在磺酰氨基丙氧基的2位带有双烷基或环烷基亚基团以及在7位带有甲基的化合物显示出强效活性。其中，2, 2-二乙基-3-(7-甲基[1, 2, 4]三唑并[1, 5-b]吡哒嗪-6-基)氧丙烷磺酰胺（13）表现出优异的抗哮喘活性。化合物13可能在治疗哮喘和其他呼吸系统疾病方面具有重要价值。讨论了该系列化合物的构效关系。

  DOI：

  10.1248/cpb.45.1447

文献信息

• Triazolopyridazine compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05389633A1

  公开（公告）日：1995-02-14

  Novel compound represented by the formula: ##STR1## wherein R.sup.1 stands for H, an optionally substituted lower alkyl group or a halogen; R.sup.2 and R.sup.3 respectively stands for a hydrogen or an optionally substituted lower alkyl group, or R.sup.2 and R.sup.3 may, taken together with the adjacent --C.dbd.C-- group, form a 5- to 7-membered ring; X stands for O, SO or SO.sub.2 ; Y stands for a group of the formula: ##STR2## (R.sup.4 and R.sup.5 respectively stand for H or an optionally substituted lower alkyl group) or a divalent group derived from an optionally substituted 3- to 7-membered homocyclic or heterocyclic ring; R.sup.6 and R.sup.7 each stands for H, an optionally substituted lower alkyl group, an optionally substituted cycloalkyl group or an optionally substituted aryl group, or R.sup.6 and R.sup.7 may, taken together with the adjacent N, form an optionally substituted N-containing heterocyclic group; m stands for 0 to 4; n stands for 0 to 4, or a salt thereof, which has excellent anti-PAF activities anti-LTC.sub.4 activities and anti-ET-1 activities, and is of value as an antiasthmatic agent, and their production, intermediates and pharmasceutical compositions.

  化合物的结构式如下：##STR1## 其中R.sup.1代表氢，可选取代的低碳基或卤素；R.sup.2和R.sup.3分别代表氢或可选取代的低碳基，或R.sup.2和R.sup.3可以与相邻的--C.dbd.C--基团结合形成一个5-至7-成员环；X代表O，SO或SO.sub.2；Y代表下式的基团：##STR2##（其中R.sup.4和R.sup.5分别代表氢或可选取代的低碳基），或者来自可选取代的3-至7-成员同环或异环的二价基团；R.sup.6和R.sup.7各代表氢，可选取代的低碳基，可选取代的环烷基或可选取代的芳基，或R.sup.6和R.sup.7可以与相邻的N结合形成一个可选取代的含氮杂环基团；m代表0至4；n代表0至4，或其盐，具有出色的抗PAF活性、抗LTC.sub.4活性和抗ET-1活性，是一种有价值的抗哮喘剂，以及它们的制备、中间体和药物组合物。
• Tablets with improved abrasion resistance and method to produce them
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0610854A1

  公开（公告）日：1994-08-17

  A compression-moldable composition comprising an active ingredient, an excipient and an oily or fatty substance having a lower melting point of about 20 to 90°C is compression-molded into uncoated tablets without coating to improve the abrasion resistance. The oily or fatty substance includes a higher fatty acid or a salt thereof, a wax, a fatty acid ester, a hardened oil, a polyalkylene oxide, etc., and the amount thereof is about 0.01 to 10% by weight. The composition may comprise (1) a granulated powder containing the active ingredient and the excipient, and the powdery or granular oily or fatty substance having a lower melting point, or (2) a granulated powder containing the active ingredient, the excipient and said oily or fatty substance. Compression-molding of the composition improves the abrasion resistance of the tablet and significantly inhibits the development of powder by wearing or abrasion even when the oily or fatty substance is used in a small amount of about 0.1 to 0.5% by weight.

  一种由活性成分、赋形剂和熔点较低的油性或脂肪性物质（熔点约为 20 至 90°C）组成的可压模塑组合物，可压模塑成无包衣片剂，无需包衣以提高耐磨性。油性或脂肪性物质包括高级脂肪酸或其盐、蜡、脂肪酸酯、硬化油、聚环氧烷等，其用量约为 0.01 至 10%（按重量计）。组合物可包括：(1) 含有活性成分和赋形剂的粒状粉末，以及具有较低熔点的粉状或粒状油性或脂肪物质；或 (2) 含有活性成分、赋形剂和所述油性或脂肪物质的粒状粉末。即使油性或脂肪性物质的用量较少，约为 0.1%至 0.5%（按重量计），该组合物的压缩成型也能提高片剂的耐磨性，并显著抑制因磨损或磨蚀而产生的粉末。
• Chemical and Pharmaceutical Bulletin 1997, 45, 1447-1457
  作者：

  DOI：——

  日期：——
• Triazolopyridazines as antioasthmatics
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0562439B1

  公开（公告）日：1999-06-09
• EP0610854B1
  申请人：——

  公开号：EP0610854B1

  公开（公告）日：2000-04-19