1-(4-fluorophenyl)-4-methyl-1H-pyrazole | 1152719-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-fluorophenyl)-4-methyl-1H-pyrazole
• 英文别名: 1-(4-fluorophenyl)-4-methylpyrazole
• CAS: 1152719-74-8
• 化学式: C₁₀H₉FN₂
• 分子量: 176.193
• InChiKey: STIYEEQXKPQPQG-UHFFFAOYSA-N

物化性质

• 沸点：
  257.9±23.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基-3-二甲氨基-2-丙烯醛 、 对氟碘苯 在 正丁基锂 、 偶氮二甲酸二叔丁酯 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 1,4-二氧六环 为溶剂， 反应 0.75h， 以74%的产率得到1-(4-fluorophenyl)-4-methyl-1H-pyrazole
  参考文献：
  名称：

  One-Pot Synthesis of N-Arylpyrazoles from Arylhalides

  摘要：

  A simple one-pot method for the synthesis of diversely functionalized pyrazoles from aryl nucleophiles, di-tert-butylazodicarboxlate, and 1,3-dicarbonyl or equivalent compounds is presented.

  DOI：

  10.1021/ol900515a

文献信息

• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLE
  申请人：HUA MEDICINE (SHANGHAI) LTD

  公开号：WO2017117708A1

  公开（公告）日：2017-07-13

  Provided herein are compounds of the formula I: as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment or prevention of mGluR5 mediated disorders, such as acute and/or chronic neurological disorders, cognitive disorders and memory deficits, as well as acute and chronic pain.

  本文提供了公式I的化合物，以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗或预防mGluR5介导的疾病非常有用，例如急性和/或慢性神经系统疾病、认知障碍和记忆缺陷，以及急性和慢性疼痛。
• HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT
  申请人：Tonogaki Keisuke

  公开号：US20130184240A1

  公开（公告）日：2013-07-18

  Disclosed is a compound which is useful as an AMPK activator. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein a group represented by the formula: is a group represented by the formula: R 1 is each independently halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like; m is an integer of 0 to 3; R 2 is hydrogen, or substituted or unsubstituted alkyl; X is —O—; and Y is substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl.

  揭示了一种作为AMPK激活剂有用的化合物。一种由以下公式表示的化合物：其药学上可接受的盐，或其溶剂化合物，其中由以下公式表示的基团：是由以下公式表示的基团：R1是各自独立的卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯烃基或类似物；m是0到3的整数；R2是氢，或取代或未取代的烷基；X是—O—；Y是取代或未取代的芳基，或取代或未取代的杂环芳基。
• PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING
  申请人：GENENTECH, INC.

  公开号：US20170015627A1

  公开（公告）日：2017-01-19

  The invention provides novel inhibitors of hedgehog signaling that are useful as a therapeutic agents for treating malignancies where the compounds have the general formula I: wherein A, X, Y R 1 , R 2 , R 3 , R 4 , m and n are as described herein.

  本发明提供了新型的刺猬信号通路抑制剂，可作为治疗恶性肿瘤的治疗药物，其中化合物具有一般式I，式中A、X、Y、R1、R2、R3、R4、m和n如本文所述。
• AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE
  申请人：Bristol-Myers Squibb Company

  公开号：US20140045811A1

  公开（公告）日：2014-02-13

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了公式（I）的化合物：如规范所定义的和包含任何这样的新化合物的组合物。这些化合物是内皮细胞脂肪酶抑制剂，可用作药物。
• PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20140213585A1

  公开（公告）日：2014-07-31

  This invention is directed to methods of treating diseases or conditions associated with JAK2 activity in a mammal comprising the administration of a compound of formula (I): where n, m, Y, R 1 , R 2 , R 3 , R 4 and R 5 are disclosed herein, or a pharmaceutically acceptable salt.

  本发明涉及用于治疗哺乳动物中与JAK2活性相关疾病或病症的方法，包括给予以下公式（I）的化合物或其药学上可接受的盐：其中n，m，Y，R1，R2，R3，R4和R5在此被披露。