2-(1-isopropyl-1H-pyrazol-4-yl)ethyl methanesulfonate | 177940-23-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-(1-isopropyl-1H-pyrazol-4-yl)ethyl methanesulfonate
• 英文别名: 1-(1-methylethyl)-4-(2-methanesulfonyloxyethyl)-1H-pyrazole；2-(1-isopropyl-1H-pyrazol-4-yl)-1-mesyloxyethane；1-isopropyl-4-(2-methanesulfonyl-oxy)ethyl-1H-pyrazole；methanesulfonic acid 2-(isopropyl-1H-pyrazol-4-yl)ethyl ester；2-(1-propan-2-ylpyrazol-4-yl)ethyl methanesulfonate
• CAS: 177940-23-7
• 化学式: C₉H₁₆N₂O₃S
• 分子量: 232.304
• InChiKey: XXMMKMSDQNDJEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-isopropyl-1H-pyrazol-4-yl)ethyl methanesulfonate 在 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 tert-butyl (S)-((3’-chloro-2’-(2-chloro-3-(5-(2-(1-isopropyl-1H-pyrazol-4-yl)ethyl)-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxamido)phenyl)-6-methoxy-[2,4’-bipyridin]-5-yl)methyl)((5-oxopyrrolidin-2-yl)methyl)carbamate
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME
  [FR] COMPOSÉS D'IMIDAZOAMIDE SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The present disclosure includes substituted imidazoamide compounds of Formula (I), analogues thereof, and compositions comprising the same. In one aspect, the compounds contemplated in the disclosure can be used to treat, ameliorate, and/or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient. In another aspect, the compounds contemplated in the disclosure can be used to treat, ameliorate, and/or prevent cancer in a patient.

  公开号：

  WO2024018403A1
• 作为产物：
  描述：

  2-(1H-吡唑-4-基)乙醇 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 2-(1-isopropyl-1H-pyrazol-4-yl)ethyl methanesulfonate
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME
  [FR] COMPOSÉS D'IMIDAZOAMIDE SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The present disclosure includes substituted imidazoamide compounds of Formula (I), analogues thereof, and compositions comprising the same. In one aspect, the compounds contemplated in the disclosure can be used to treat, ameliorate, and/or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient. In another aspect, the compounds contemplated in the disclosure can be used to treat, ameliorate, and/or prevent cancer in a patient.

  公开号：

  WO2024018403A1

文献信息

• Use of serotonin 5-HT1F agonists for the prevention of migraine
  申请人：ELI LILLY AND COMPANY

  公开号：EP0832650A3

  公开（公告）日：1998-09-02

  This invention provides methods for the prevention of migraine which comprises administering to a mammal in need thereof a serotonin 5-HT1F agonist.

  这项发明提供了预防偏头痛的方法，包括向需要的哺乳动物施用一种5-HT1F受体激动剂。
• Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis
  申请人：ELI LILLY AND COMPANY

  公开号：EP0824917A3

  公开（公告）日：2000-08-30

  This invention provides methods for the treatment or amelioration of the symptoms of the common cold or allergic rhinitis which comprises administering to a mammal in need thereof a serotonin 5-HT1F agonist.

  这项发明提供了治疗或缓解普通感冒或过敏性鼻炎症状的方法，包括向需要的哺乳动物施用一种5-HT1F受体激动剂。
• Methods of treating or ameliorating the symptoms of common cold or
  申请人：Eli Lilly and Company

  公开号：US05962473A1

  公开（公告）日：1999-10-05

  This invention provides methods for the treatment or amelioration of the symptoms of the common cold or allergic rhinitis which comprises administering to a mammal in need thereof a serotonin 5-HT.sub.1F agonist.

  这项发明提供了治疗或改善普通感冒或过敏性鼻炎症状的方法，包括向需要的哺乳动物施用一种5-羟色胺5-HT.sub.1F激动剂。
• [EN] SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS<br/>[FR] 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES SUBSTITUES ET 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES SUBSTITUES UTILISES EN TANT QU'AGONISTES DE 5-HT1F
  申请人：LILLY CO ELI

  公开号：WO2005035499A1

  公开（公告）日：2005-04-21

  ABSTRACT The present invention relates to compounds of formula I: (I) or a pharmaceutically acceptable acid addition salt thereof, where; X is C(R3c= or N=; R1 is C2-C6 alkyl, substituted C2-C6 alkyl, C3-C7 cycloalkyl, substituted C3-C7 cycloalkyl, phenyl, substituted phenyl, heterocycle, or substituted heterocycle; R2 is hydrogen, C1-C3 n-alkyl, C3-C6 cycloalkyl-C1-C3 alkyl, or a group of formula II (II) provided that when R1 is C2-C6 alkyl or substituted C2-C6 alkyl, R2 is hydrogen or methyl; R3a, R3b, and, when X is C(R3c)=, R3c, are each independently hydrogen, fluoro, or methyl, provided that no more than one of R3a, R3b, and R3c may be other than hydrogen; R4 is hydrogen or C1-C3 alkyl; R5 is hydrogen, C1-C3 alkyl, or C3-C6 cycloalkylcarbonyl, provided that when R3a is other than hydrogen, R5 is hydrogen; R6 is hydrogen or C1-C6 alkyl; and n is an integer from 1 to 6 inclusively. The compounds of the present invention are useful for activating 5-HT1F receptors, inhibiting neuronal protein extravasation, and for the treatment or prevention of migraine in a mammal.

  本发明涉及以下化合物的公式I：（I）或其药学上可接受的酸加盐，其中；X为C（R3c=或N=；R1为C2-C6烷基，取代的C2-C6烷基，C3-C7环烷基，取代的C3-C7环烷基，苯基，取代的苯基，杂环烷基，或取代的杂环烷基；R2为氢，C1-C3正烷基，C3-C6环烷基-C1-C3烷基，或公式II的基团（II），但当R1为C2-C6烷基或取代的C2-C6烷基时，R2为氢或甲基；R3a，R3b，和当X为C（R3c）=时，R3c，各自独立地为氢，氟，或甲基，但R3a，R3b，和R3c中的最多一个可能不是氢；R4为氢或C1-C3烷基；R5为氢，C1-C3烷基，或C3-C6环烷基甲酰，但当R3a不是氢时，R5为氢；R6为氢或C1-C6烷基；n为1到6的整数（包括1和6）。本发明的化合物可用于激活5-HT1F受体，抑制神经蛋白外渗，以及用于治疗或预防哺乳动物的偏头痛。
• [EN] (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS<br/>[FR] COMPOSES (PIPERIDINYLOXY)PHENYLE, (PIPERIDINYLOXY)PYRIDINYLE, (PIPERIDINYLSULFANYL)PHENYLE ET (PIPERIDINYLSULFANYL)PYRIDINYLE UTILISES COMME AGONISTES DES RECEPTEURS 5-HT1F
  申请人：LILLY CO ELI

  公开号：WO2004094380A1

  公开（公告）日：2004-11-04

  The present invention relates to compounds of formula 1: and pharmaceutically acceptable acid addition sails thereof. The compounds of the present invention are useful for activating 5-HTIF receptors, inhibiting neuronal protein extravasation, and for the treatment or preverition of migraine in mammals, particularly humans.

  本发明涉及公式1的化合物及其药用可接受的酸盐。本发明的化合物可用于激活5-HTIF受体，抑制神经蛋白外渗，并用于治疗或预防哺乳动物，尤其是人类的偏头痛。