2-(1-异丙基-1H-吡唑-4-基)乙醇 | 201803-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(1-异丙基-1H-吡唑-4-基)乙醇
• 英文名称: 2-(1-isopropyl-1H-pyrazol-4-yl)ethan-1-ol
• 英文别名: 4-(2-hydroxyethyl)-1-isopropyl-1H-pyrazole；2-(1-Isopropyl-1H-pyrazol-4-yl)ethanol；2-(1-propan-2-ylpyrazol-4-yl)ethanol
• CAS: 201803-71-6
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: MQCSQENDKJRXDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 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：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1-异丙基-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 14.0h， 生成 methyl 5-(2-(1-isopropyl-1H-pyrazol-4-yl)ethyl)-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxylate
  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 、 2-溴丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(1-异丙基-1H-吡唑-4-基)乙醇
  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

• [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。
• Carbodiimide coupling reagent
  申请人：Eli Lilly and Company

  公开号：US05998630A1

  公开（公告）日：1999-12-07

  The present invention relates to compounds used for increasing activation of the 5-HT1F receptor.

  本发明涉及用于增强5-HT1F受体活性的化合物。
• Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht 1f agonists
  申请人：Blanco-Pillado Maria-Jesus

  公开号：US20060287363A1

  公开（公告）日：2006-12-21

  The present invention relates to compounds of formula I: (I) or a pharmaceutically acceptable acid addition salt thereof, where; X is C(R 3c ═ or N═; R 1 is C 2 -C 6 alkyl, substituted C 2 -C 6 alkyl, C 3 -C 7 cycloalkyl, substituted C 3 -C 7 cycloalkyl, phenyl, substituted phenyl, heterocycle, or substituted heterocycle; R 2 is hydrogen, C 1 -C 3 n-alkyl, C 3 -C 6 cycloalkyl-C 1 -C 3 alkyl, or a group of formula II (II) provided that when R 1 is C 2 -C 6 alkyl or substituted C 2 -C 6 alkyl, R 2 is hydrogen or methyl; R 3a , R 3b , and, when X is C(R 3c )═, R 3c , are each independently hydrogen, fluoro, or methyl, provided that no more than one of R 3a , R 3b , and R 3c may be other than hydrogen; R 4 is hydrogen or C 1 -C 3 alkyl; R 5 is hydrogen, C 1 -C 3 alkyl, or C 3 -C 6 cycloalkylcarbonyl, provided that when R 3a is other than hydrogen, R 5 is hydrogen; R 6 is hydrogen or C 1 -C 6 alkyl; and n is an integer from 1 to 6 inclusively. The compounds of the present invention are useful for activating 5-HT 1F receptors, inhibiting neuronal protein extravasation, and for the treatment or prevention of migraine in a mammal.

  本发明涉及公式I的化合物：（I）或其药学上可接受的酸加成盐，其中; X为C（R3c═或N═; R1为C2-C6烷基，取代C2-C6烷基，C3-C7环烷基，取代C3-C7环烷基，苯基，取代苯基，杂环基或取代杂环基; R2为氢，C1-C3n-烷基，C3-C6环烷基-C1-C3烷基，或公式II的基团（II），前提是当R1为C2-C6烷基或取代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，前提是R3a，R3b和R3c中最多只有一个可能不是氢; R4为氢或C1-C3烷基; R5为氢，C1-C3烷基或C3-C6环烷基羰基，前提是当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）。本发明的化合物对于激活5-HT1Freceptor，抑制神经元蛋白外渗以及治疗或预防哺乳动物偏头痛具有用处。
• Polymer bound carbodiimide coupling reagent
  申请人：Eli Lilly and Company

  公开号：US06126932A1

  公开（公告）日：2000-10-03

  This invention provides novel 5-HT.sub.1F agonists of Formula ##STR1## where X, R.sup.1, R.sup.2, and R.sup.3 are defined in the specification, which are useful for the treatment of migraine and associated disorders.

  这项发明提供了新颖的5-HT.sub.1F激动剂，其化学式为 ##STR1## 其中X、R.sup.1、R.sup.2和R.sup.3在说明书中有定义，可用于治疗偏头痛和相关疾病。
• Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists
  申请人：Eli Lilly and Company

  公开号：US07291632B2

  公开（公告）日：2007-11-06

  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.

  本发明涉及式I的化合物：（I）或其药学上可接受的酸加成盐，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，杂环或取代的杂环；R2为氢，C1-C3正烷基，C3-C6环烷基-C1-C3烷基，或式II的基团（II），其中当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，前提是R3a，R3b和R3c中最多只有一个不是氢；R4为氢或C1-C3烷基；R5为氢，C1-C3烷基或C3-C6环烷基羰基，前提是当R3a不是氢时，R5为氢；R6为氢或C1-C6烷基；n为1到6的整数。本发明的化合物对于激活5-HT1F受体、抑制神经元蛋白外渗以及治疗或预防哺乳动物偏头痛具有用处。