1-(4-fluorophenyl)-3-iodo-1H-pyrazole | 1621525-03-8

• 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)-3-iodo-1H-pyrazole
• 英文别名: 1-(4-fluorophenyl)-3-iodopyrazole
• CAS: 1621525-03-8
• 化学式: C₉H₆FIN₂
• 分子量: 288.063
• InChiKey: XYHYDOBAYADNCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-3-iodo-1H-pyrazole 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.83h， 生成 tert-butyl 3-(1'-(4-fluorophenyl)-2-(tetrahydro-2H-pyran-2-yl)-1'H,2H-[3,4'-bipyrazol]-3'-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD
  [FR] 2-PYRAZOLE ANILINES ET ANALOGUES APPARENTÉS POUR INHIBER YAP/TAZ-TEAD

  摘要：

  The present disclosure relates to novel compounds, to said compounds for use as a medicine, more in particular for the prevention or treatment of diseases mediated by activity of YAP/TAZ-TEAD transcription, yet more in particular for the prevention or treatment of cancer or fibrosis. The present disclosure also relates to a method for the prevention or treatment of said diseases comprising the use of the novel compounds.

  公开号：

  WO2023122780A2
• 作为产物：
  描述：

  1-(4-氟苯基)-1H-吡唑-3-胺 在 盐酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 0.22h， 以12.3%的产率得到1-(4-fluorophenyl)-3-iodo-1H-pyrazole
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES
  [FR] DÉRIVÉS DE PYRAZOLE

  摘要：

  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。

  公开号：

  WO2017117708A1

文献信息

• [EN] FACTOR IXA INHIBITORS<br/>[FR] INHIBITEURS DU FACTEUR IXA
  申请人：MERCK SHARP & DOHME

  公开号：WO2014120346A1

  公开（公告）日：2014-08-07

  The present invention provides a compound of Formula (I) (structurally represented) wherein R1 is H or C1-6 alkyl, R2 is H or C1-6 alkyl or CH20H, R3 is H or C1-6 alkyl, and R4 is H or C1-6 alkyl, provided that when R1, R2, and R3 are H, R4 is C1-6 alkyl, and when R1, R2, and R4 are H, then R3 is C1-6 alkyl, and when R1, R3, and R4 are H, R2 is C1-6 alkyl or-CH20H, and when R2, R3, and R4 are H, then R1 is C 1-6 alkyl; A is 1 ) a 9-10 membered bicyclic heterocycle having 1-3 heteroatoms independently selected from N, S and 0, which 9-10 membered bicyclic heterocycle is unsubstituted or substituted with R5 and unsubstituted or substituted with R6 and unsubstituted or substituted with NH2, or 2) a 6-9 membered monocyclic or bicyclic carbocyclic ring system unsubstituted or substituted with R5, unsubstituted or substituted with R6, and unsubstituted or substituted with -CH2NH2; and B is 1) a 5- or 6-membered monocyclic heterocycle having 1 or 2 heteroatoms independently selected from N, S or 0, which is unsubstituted or substituted on a carbon or nitrogen atom with R7, unsubstituted or substituted on a carbon or nitrogen atom with R8, and unsubstituted or substituted on a carbon or nitrogen atom with R9, or 2) an 8- or 9-membered fused bicyclic heterocycle having 1, 2 or 3 nitrogen atoms which is unsubstituted or substituted on a carbon or nitrogen atom with R7, and unsubstituted or substituted on a carbon or nitrogen atom with R8; and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses.

  本发明提供了一种式（I）的化合物（结构表示），其中R1为H或C1-6烷基，R2为H或C1-6烷基或CH20H，R3为H或C1-6烷基，R4为H或C1-6烷基，但当R1、R2和R3为H时，R4为C1-6烷基，当R1、R2和R4为H时，R3为C1-6烷基，当R1、R3和R4为H时，R2为C1-6烷基或-CH20H，当R2、R3和R4为H时，R1为C1-6烷基；A为1）具有1-3个异原子（N、S和O中独立选择）的9-10成员双环杂环，该9-10成员双环杂环未取代或取代为R5、未取代或取代为R6、未取代或取代为NH2；或2）未取代或取代为R5、未取代或取代为R6、未取代或取代为-CH2NH2的6-9成员单环或双环碳环系统；B为1）具有1或2个异原子（N、S或O中独立选择）的5-或6成员单环杂环，未取代或在碳或氮原子上取代为R7、未取代或在碳或氮原子上取代为R8、未取代或在碳或氮原子上取代为R9；或2）具有1、2或3个氮原子的8-或9成员融合双环杂环，在碳或氮原子上未取代或取代为R7，并在碳或氮原子上未取代或取代为R8；以及包括一种或多种这些化合物的制药组合物，以及使用这些化合物用于治疗或预防血栓形成的方法。
• [EN] HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF<br/>[FR] DÉRIVÉS DE SPIROPIPÉRIDINYLE SUBSTITUÉS PAR HÉTÉROARYLE ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：NOVARTIS AG

  公开号：WO2022034529A1

  公开（公告）日：2022-02-17

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein R1 R2, R4 and X1 are defeined herein, a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了化合物(I)或其药用可接受盐；(I)中R1、R2、R4和X1的定义见本文，本发明化合物的制备方法以及其治疗用途。本发明还提供了药理活性剂的组合和药物组合物。
• Factor IXa Inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20150322056A1

  公开（公告）日：2015-11-12

  The present invention provides a compound of Formula (I) wherein R 1 is H or C 1-6 alkyl, R 2 , is H or C 1-6 alkyl or CH 2 OH, R 3 is H or C 1-6 alkyl, and R 4 is H or C 1-6 alkyl, provided that when R 1 , R 2 , and R 3 are H, R 4 is C 1-6 alkyl, and when R 1 , R 2 , and R 4 are H, then R 3 is C 1-6 alkyl, and when R 1 , R 3 , and R 4 are H, R 2 is C 1-6 alkyl or —CH 2 OH, and when R 2 , R 3 , and R 4 are H, then R 1 is C 1-6 alkyl; A is 1) a 9-10 membered bicyclic heterocycle having 1-3 heteroatoms independently selected from N, S and O, which 9-10 membered bicyclic heterocycle is unsubstituted or substituted with R 5 and unsubstituted or substituted with R 6 and unsubstituted or substituted with NH 2 , or 2) a 6-9 membered monocyclic or bicyclic carbocyclic ring system unsubstituted or substituted with R 5 , unsubstituted or substituted with R 6 , and unsubstituted or substituted with —CH 2 NH 2 ; and B is 1 ) a 5- or 6-membered monocyclic heterocycle having 1 or 2 heteroatoms independently selected from N, S or O, which is unsubstituted or substituted on a carbon or nitrogen atom with R 7 , unsubstituted or substituted on a carbon or nitrogen atom with R 8 , and unsubstituted or substituted on a carbon or nitrogen atom with R 9 , or 2 ) an 8- or 9-membered fused bicyclic heterocycle having 1, 2 or 3 nitrogen atoms which is unsubstituted or substituted on a carbon or nitrogen atom with R 7 , and unsubstituted or substituted on a carbon or nitrogen atom with R 8 ; and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses.

  本发明提供了一种化合物，其化学式为（I），其中R1为H或C1-6烷基，R2为H或C1-6烷基或CH2OH，R3为H或C1-6烷基，R4为H或C1-6烷基，但当R1，R2和R3为H时，R4为C1-6烷基，当R1，R2和R4为H时，R3为C1-6烷基，当R1，R3和R4为H时，R2为C1-6烷基或-CH2OH，当R2，R3和R4为H时，R1为C1-6烷基；A为1）具有1-3个杂原子（N，S和O）的9-10个成员的双环杂环，该9-10个成员的双环杂环未取代或取代为R5，未取代或取代为R6，未取代或取代为NH2，或2）未取代或取代为R5的6-9个成员的单环或双环碳环系统，未取代或取代为R6，未取代或取代为-CH2NH2；B为1）具有1或2个杂原子（N，S或O）的5或6个成员的单环杂环，未在碳或氮原子上取代或取代为R7，未在碳或氮原子上取代或取代为R8，未在碳或氮原子上取代或取代为R9，或2）具有1,2或3个氮原子的8或9个成员的融合双环杂环，未在碳或氮原子上取代或取代为R7，并未在碳或氮原子上取代或取代为R8；以及包括一种或多种上述化合物的制药组合物，以及使用上述化合物用于治疗或预防血栓形成的方法。
• Pyrazole derivatives
  申请人：HUA MEDICINE (SHANGHAI) Ltd.

  公开号：US10941132B2

  公开（公告）日：2021-03-09

  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.

  本文提供了式 I：化合物及其药学上可接受的盐类，其中取代基与说明书中公开的取代基相同。这些化合物以及含有它们的药物组合物可用于治疗或预防 mGluR5 介导的疾病，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。
• EP2934538B1
  申请人：——

  公开号：EP2934538B1

  公开（公告）日：2021-03-31