5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2,4-triazol-3-one
• 化学式: C₂₃H₁₉F₇N₄O₃
• 分子量: 532.4
• InChiKey: NLYKDVVWGQZEED-OITMNORJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• Use of NK-1 receptor antagonists against benign prostatic hyperplasia
  申请人：——

  公开号：US20030004157A1

  公开（公告）日：2003-01-02

  The invention relates to the use of an NK-1 receptor antagonist for the treatment or prevention of benign prostatic hyperplasia (BPH). The preferred NK-1 receptor antagonists are compounds of the general formula 1 wherein the meanings of R, R 1 , R 2 , R 2′ , R 3 , R 4 are explained in the specification and the pharmaceutically acceptable acid addition salts and the prodrugs thereof Preferred compounds are 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide, 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-[6-(4-methyl-piperazin-1-yl)-4-o-tolyl-pyridin-3-yl]-isobutyramide, 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1&lgr; 6 -thiomorpholin-4-yl)-4-o-tolyl-pyridin-3-yl]-N-methyl-isobutyramide and 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1&lgr; 6 -thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide. The invention also relates to pharmaceutical composition comprising one or more such NK-1 receptor antagonists and a pharmaceutically acceptable excipient for the treatment and/or prevention of benign prostatic hyperplasia.

  本发明涉及使用NK-1受体拮抗剂治疗或预防良性前列腺增生（BPH）。首选的NK-1受体拮抗剂是一般式1中R，R1，R2，R2'，R3，R4的含义在规范中解释的化合物，以及其药学上可接受的酸盐和前药。首选化合物是2-(3,5-双三氟甲基苯基)-N-甲基-N-(6-吗啉-4-基-4-o-甲苯基-吡啶-3-基)-异丁酰胺，2-(3,5-双三氟甲基苯基)-N-甲基-N-[6-(4-甲基哌嗪-1-基)-4-o-甲苯基-吡啶-3-基]-异丁酰胺，2-(3,5-双三氟甲基苯基)-N-[6-(1,1-二氧-1&lgr;6-硫代吗啉-4-基)-4-o-甲苯基-吡啶-3-基]-N-甲基异丁酰胺和2-(3,5-双三氟甲基苯基)-N-[6-(1,1-二氧-1&lgr;6-硫代吗啉-4-基)-4-(4-氟-2-甲基苯基)-吡啶-3-基]-N-甲基异丁酰胺。本发明还涉及包含一种或多种此类NK-1受体拮抗剂和药学上可接受的载体的制药组合物，用于治疗和/或预防良性前列腺增生。
• Brain, spinal, and nerve injury treatment
  申请人：EUSTRALIS PHARMACEUTICALS LIMITED

  公开号：US10201568B2

  公开（公告）日：2019-02-12

  A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.

  一种治疗脑、脊柱和神经损伤的方法，包括使用一种 P 物质受体拮抗剂（可选择与一种镁化合物结合使用）。还提供了一种用于这种治疗的制剂，包括一种 P 物质受体拮抗剂和一种镁化合物。
• Genetic polymorphisms in the preprotachy kinin gene
  申请人：——

  公开号：US20030158187A1

  公开（公告）日：2003-08-21

  The present invention relates to a method for correlating single nucleotide polymorphisms in the preprotachykinin (NKNA) gene with the efficacy and compatibility of a pharmaceutically active compound administered to a human being. The invention further relates to a method for determining the efficacy and compatibility of a pharmaceutically active compound administered to a human being which method comprises determining at least one single nucleotide polymorphism in the NKNA gene. Said methods are based on determining specific single nucleotide polymorphisms in the NKNA gene and determining the efficacy and compatibility of a pharmaceutically active compound in the human by reference to polymorphism in NKNA. The invention further relates to isolated nucleic acids comprising within their sequence the polymorphisms as defined herein, to nucleic acid primers and oligonucleotide probes capable of hybridizing to such nucleic acids and to a diagnostic kit comprising one or more of such primers and probes for detecting a polymorphism in the NKNA gene, to a pharmaceutical pack comprising NK-1 receptor antagonists and instructions for administration of the drug to human beings tested for the polymorphisms as well as to a computer readable medium with the stored sequence information for the polymorphisms in the NKNA gene.

  本发明涉及一种将前激肽（NKNA）基因中的单核苷酸多态性与给人服用的药用活性化合物的药效和相容性相关联的方法。本发明还涉及一种确定给人服用的药用活性化合物的药效和相容性的方法，该方法包括确定 NKNA 基因中的至少一种单核苷酸多态性。所述方法的基础是确定 NKNA 基因中特定的单核苷酸多态性，并参照 NKNA 中的多态性确定药用活性化合物在人体内的药效和相容性。本发明还涉及在其序列中包含本文所定义的多态性的分离核酸、能与这种核酸杂交的核酸引物和寡核苷酸探针以及包含一种或多种用于检测 NKNA 基因中多态性的这种引物和探针的诊断试剂盒、包含 NK-1 受体拮抗剂的药包和对接受多态性检测的人用药的说明书，以及存储有 NKNA 基因多态性序列信息的计算机可读介质。
• Brain, spinal and nerve injury treatment
  申请人：Nimmo John Alan

  公开号：US20050107380A1

  公开（公告）日：2005-05-19

  A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.

  一种治疗脑、脊柱和神经损伤的方法，包括使用一种 P 物质受体拮抗剂（可选择与一种镁化合物结合使用）。还提供了一种用于这种治疗的制剂，包括一种 P 物质受体拮抗剂和一种镁化合物。
• NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS
  申请人：Advanced Medicine, Inc.

  公开号：EP1080080A1

  公开（公告）日：2001-03-07