叔-丁基3-(2-甲氧苯基)哌嗪-1-羧酸酯 | 952195-10-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 叔-丁基3-(2-甲氧苯基)哌嗪-1-羧酸酯
• 英文名称: ethyl-(1,5-dimethyl-pyrazol-3-ylmethyl)-amine
• 英文别名: ethyl-(1,5-dimethyl-1H-pyrazol-3-ylmethyl)-amine；N-[(1,5-dimethylpyrazol-3-yl)methyl]ethanamine
• CAS: 952195-10-7
• 化学式: C₈H₁₅N₃
• 分子量: 153.227
• InChiKey: KFCDMHCBQOGZNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  叔-丁基3-(2-甲氧苯基)哌嗪-1-羧酸酯 、 [(2-chloro-5-dimethylamino-phenyl)-(3,4-dimethoxy-benzenesulfonyl)-amino]-acetic acid 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 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 2-[(2-Chloro-5-dimethylamino-phenyl)-(3,4-dimethoxy-benzenesulfonyl)-amino]-N-ethyl-N-(1,5-dimethyl-1H-pyrazol-3-ylmethyl)-acetamide
  参考文献：
  名称：

  N-Glycine-sulfonamides as potent dual orexin 1/orexin 2 receptor antagonists

  摘要：

  A series of dual OX(1)R/OX(2)R orexin antagonists was prepared based on a N-glycine-sulfonamide core. SAR studies of a screening hit led to compounds with low nanomolar affinity for both receptors and good oral bioavailability. One of these compounds, 47, has demonstrated in vivo activity in rats following oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.079

文献信息

• NOVEL SULFONAMIDE COMPOUNDS
  申请人：Aissaoui Hamed

  公开号：US20090275588A1

  公开（公告）日：2009-11-05

  The invention relates to novel sulfonamide compounds and their use as orexin receptor antagonists.

  这项发明涉及新型磺胺类化合物及其作为促觉醒素受体拮抗剂的用途。
• OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME
  申请人：Trevena, Inc.

  公开号：EP3290415A1

  公开（公告）日：2018-03-07

  This application describes compounds that can act as opioid receptor ligands, which compounds can be used in the treatment of, for example, pain and pain related disorders.

  本申请介绍了可作为阿片受体配体的化合物，这些化合物可用于治疗疼痛和疼痛相关疾病等。
• METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND
  申请人：Nishino Taito

  公开号：US20100266556A1

  公开（公告）日：2010-10-21

  An expansion agent for hematopoietic stem cells and/or hematopoietic progenitor cells useful for improvement in the efficiency of gene transfer into hematopoietic stem cells for gene therapy useful for treatment of various hematopoietic disorders is provided. A method for expanding hematopoietic stem cells and/or hematopoietic progenitor cells, which comprises culturing hematopoietic stem cells and/or hematopoietic progenitor cells ex vivo in the presence of a compound represented by the formula (I) (wherein X, Y, X, Ar 1 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are defined in the description), a tautomer or pharmaceutically acceptable salt of the compound or a solvate thereof.
• US8003654B2
  申请人：——

  公开号：US8003654B2

  公开（公告）日：2011-08-23
• [EN] NOVEL SULFONAMIDE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS SULFONAMIDES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2007116374A1

  公开（公告）日：2007-10-18

  [EN] The invention relates to sulfonamide compounds of formula (I), where A, B, R³ and R⁴ are as defined in the claims, and their use as orexin receptor antagonists in the prevention and treatment of eating and drinking disorders, all types of sleep disorders, all kinds of cognitive dysfunctions in the healthy population and psychiatric and neurologic disorders. Formula (I).
  [FR] L'invention concerne de nouveaux composés sulfonamides correspondant à la formule (I) dans laquelle A, B, R³ et R⁴sont définis dans les revendications et leur utilisation en tant qu'antagonistes des récepteurs de l'orexine, utilisés dans la prévention et le traitement de troubles de l'alimentation et d'absorption de liquides, de tous types de troubles du sommeil, des dysfonctionnements cognitifs en tous genres dans une population en bonne santé et de troubles psychiatriques ou neurologiques.