1,2,4-Triazolo[4,3-b]pyridazine, 6-(4-benzyl-1-piperazinyl)-3-trifluoromethyl- | 296243-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,2,4-Triazolo[4,3-b]pyridazine, 6-(4-benzyl-1-piperazinyl)-3-trifluoromethyl-
• 英文别名: 6-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
• CAS: 296243-50-0
• 化学式: C₁₇H₁₇F₃N₆
• mdl: MFCD01572441
• 分子量: 362.357
• InChiKey: YCZLDHNNGHIBLI-UHFFFAOYSA-N

物化性质

• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氯-3-(三氟甲基)[1,2,4]噻唑并[4,3-b]吡嗪 、 1-苄基哌嗪 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,2,4-Triazolo[4,3-b]pyridazine, 6-(4-benzyl-1-piperazinyl)-3-trifluoromethyl-
  参考文献：
  名称：

  Small-molecule androgen receptor downregulators as an approach to treatment of advanced prostate cancer

  摘要：

  Chemical starting points were investigated for downregulation of the androgen receptor as an approach to treatment of advanced prostate cancer. Although prototypic steroidal downregulators such as 6a designed for intramuscular administration showed insufficient cellular potency, a medicinal chemistry program derived from a novel androgen receptor ligand 8a led to 6-[4-(4-cyanobenzyl)piperazin-1-yl]3-(trifluoromethyl)[1,2,4] triazolo[4,3-b] pyridazine (10b), for which high plasma levels following oral administration in a preclinical model compensate for moderate cellular potency. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.122

文献信息

• BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155
  申请人：Bradbury Robert Hugh

  公开号：US20100016279A1

  公开（公告）日：2010-01-21

  The invention concerns bicyclic compounds of Formula I wherein the integers X 1 , X 2 , X 3 , Ring A, R 4 , R 5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  本发明涉及公式I的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m如描述中所定义。本发明还涉及制备这种化合物的方法、包含它们的制药组合物以及它们在制造用于预防或治疗与雄激素受体相关疾病的药物中的应用。
• Methods for treating cryptosporidiosis using triazolopyridazines
  申请人：University of Vermont and State Agricultural College

  公开号：US10363254B2

  公开（公告）日：2019-07-30

  Methods for treating or prophylaxis of a Cryptosporidium infection using compositions comprising a structure disclosed herein. Also provided are pharmaceutical compositions and kits for alleviating the symptoms of, for treating, or for preventing the occurrence of Cryptosporidium infection. The kits comprise one or more compounds having a structure disclosed herein, such as in an oral composition, and instructions for use, storage, and the like.

  使用包含本文公开的结构的组合物治疗或预防隐孢子虫感染的方法。还提供了用于缓解隐孢子虫感染症状、治疗或预防隐孢子虫感染发生的药物组合物和试剂盒。这些试剂盒包括一种或多种具有本文所公开结构的化合物，如口服组合物，以及使用、储存等说明。
• METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES
  申请人：University of Vermont and State Agricultural College

  公开号：US20180064711A1

  公开（公告）日：2018-03-08

  Methods for treating or prophylaxis of a Cryptosporidium infection using compositions comprising a structure disclosed herein. Also provided are pharmaceutical compositions and kits for alleviating the symptoms of, for treating, or for preventing the occurrence of Cryptosporidium infection. The kits comprise one or more compounds having a structure disclosed herein, such as in an oral composition, and instructions for use, storage, and the like.
• US8003649B2
  申请人：——

  公开号：US8003649B2

  公开（公告）日：2011-08-23
• [EN] METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES<br/>[FR] MÉTHODES POUR LE TRAITEMENT DE LA CRYPTOSPORIDIOSE À L'AIDE DE TRIAZOLOPYRIDAZINES
  申请人：UNIV OF VERMONT AND STATE AGRICULTURAL COLLEGE

  公开号：WO2016161125A1

  公开（公告）日：2016-10-06

  Methods for treating or prophylaxis of a Cryptosporidium infection using compositions comprising a structure disclosed herein. Also provided are pharmaceutical compositions and kits for alleviating the symptoms of, for treating, or for preventing the occurrence of Cryptosporidium infection. The kits comprise one or more compounds having a structure disclosed herein, such as in an oral composition, and instructions for use, storage, and the like.