BMS-561388 | 383368-51-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: BMS-561388
• 英文别名: 4-(bis(2-methoxyethyl)amino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)[1,5-a]pyrazolo1,3,5-triazine benzenesulfonic acid；benzenesulfonate salt of 4-(bis(2-methoxyethyl)amino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)-[1,5-α]-pyrazolo-1,3,5-triazine；4-(bis(2-methoxyethyl)amino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)-[1,5-α]-pyrazolo-1,3,5-triazine benzenesulfonate；N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a] [1,3,5] triazin-4-amine benzenesulfonate；Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-, monobenzenesulfonate；benzenesulfonic acid;N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• CAS: 383368-51-2
• 化学式: C₆H₆O₃S*C₂₁H₂₉N₅O₃
• 分子量: 557.671
• InChiKey: ZQUBMILBXQLTDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-(bis(2-methoxyethyl)amino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)[1,5-a]pyrazolo1,3,5-triazine 、 苯磺酸 以 醋酸异丙酯 、 乙腈 为溶剂， 生成 BMS-561388
  参考文献：
  名称：

  Salt and crystalline form thereof of a corticotropin releasing factor receptor antagonist

  摘要：

  本发明提供了4-（双（2-甲氧基乙基）氨基）-2,7-二甲基-8-（2-甲基-4-甲氧基苯基）-[1,5-α]-吡唑-1,3,5-三嗪苯磺酸盐及其晶体多形。此外，还提供了含有该盐的药物组合物，并使用该盐治疗CRF相关疾病的方法。

  公开号：

  US20050113375A1

文献信息

• Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof
  申请人：Sherbine P. James

  公开号：US20050143380A1

  公开（公告）日：2005-06-30

  The present invention provides novel processes and intermediates for preparing corticotropin releasing factor (CRF) receptor antagonists having the structure below which are useful in treating CRF-related disorders such as anxiety and depression.

  本发明提供了一种制备下面结构的促肾上腺皮质激素释放因子（CRF）受体拮抗剂的新型工艺和中间体，这些拮抗剂在治疗CRF相关疾病如焦虑和抑郁症方面有用。
• Process for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof
  申请人：Sherbine P. James

  公开号：US20070161790A1

  公开（公告）日：2007-07-12

  The present invention provides novel processes and intermediates for preparing corticotropin releasing factor (CRF) receptor antagonists having the structure below which are useful in treating CRF-related disorders such as anxiety and depression.

  本发明提供了一种制备皮质释放激素受体拮抗剂的新工艺和中间体，该拮抗剂具有以下结构，可用于治疗与皮质释放激素相关的疾病，如焦虑和抑郁症。
• [EN] PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5-a]-1,3,5-TRIAZINES AND INTERMEDIATES THEREOF<br/>[FR] PROCEDES DE PREPARATION DE PYRAZOLO[1,5-a]-1,3,5-TRIAZINES ET LEURS INTERMEDIAIRES
  申请人：BRISTOL MYERS SQUIBB PHARMA CO

  公开号：WO2005051954A3

  公开（公告）日：2005-11-17
• 8-(4-Methoxyphenyl)pyrazolo[1,5-<i>a</i>]-1,3,5-triazines: Selective and Centrally Active Corticotropin-Releasing Factor Receptor-1 (CRF₁) Antagonists
  作者：Paul J. Gilligan、Liqi He、Todd Clarke、Parcharee Tivitmahaisoon、Snjezana Lelas、Yu-Wen Li、Karen Heman、Lawrence Fitzgerald、Keith Miller、Ge Zhang、Anne Marshall、Carol Krause、John McElroy、Kathyrn Ward、Helen Shen、Harvey Wong、Scott Grossman、Gregory Nemeth、Robert Zaczek、Stephen P. Arneric、Paul Hartig、David W. Robertson、George Trainor

  DOI：10.1021/jm9000242

  日期：2009.5.14

  This report describes the syntheses and structure-activity relationships of 8-(4-methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazine corticotropin releasing factor receptor-1 (CRF1) receptor antagonists. CRF1 receptor antagonists may be potential anxiolytic or antidepressant drugs. This research culminated in the discovery of analogue 12-3. which is a potent, selective CRF1 antagonist (hCRF(1) IC50 = 4.7 +/- 2.0 nM) with weak affinity for the CRF-binding protein and biogenic amine receptors. This compound also has a good pharmacokinetic profile in dogs. Analogue 12-3 is orally effective in two rat models of anxiety: the defensive withdrawal (situational anxiety) model and the elevated plus maze test. Analogue 12-3 has been advanced to clinical trials.
• US7208596B2
  申请人：——

  公开号：US7208596B2

  公开（公告）日：2007-04-24