1-(4-fluorophenyl)-3-methyl-1H-pyrazole | 166588-10-9

• 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-methyl-1H-pyrazole
• 英文别名: 1-(4-fluorophenyl)-3-methylpyrazole
• CAS: 166588-10-9
• 化学式: C₁₀H₉FN₂
• 分子量: 176.19
• InChiKey: SIWQJXVMSFEFCO-UHFFFAOYSA-N

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

文献信息

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

  公开号：WO2014099694A1

  公开（公告）日：2014-06-26

  The present invention provides a compound of Formula (I) wherein A is a heterocycle ring system and B is a heterocycle ring system or aryl ring system, and pharmaceutical compositions comprising one or more of said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了一种化合物，其化学式为（I），其中A是一个杂环环系统，B是一个杂环环系统或芳香环系统，以及包含一种或多种所述化合物的药物组合物，以及使用所述化合物用于治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• [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。
• Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors
  申请人：BASF SE

  公开号：US20140323305A1

  公开（公告）日：2014-10-30

  The present invention relates to the use of strobilurine type compounds of formula I and the N-oxides and the salts thereof for combating phytopathogenic fungi containing a mutation in the mitochondrial cytochrome b gene conferring resistance to Qo inhibitors, and to methods for combating such fungi. The invention also relates to novel compounds, processes for preparing these compounds, to compositions comprising at least one such compound, to plant health applications, and to seeds coated with at least one such compound.

  本发明涉及使用式I的蘑菇酸类化合物以及其N-氧化物和盐来对抗含有对Qo抑制剂产生耐药性的线粒体细胞色素b基因突变的植物病原真菌，以及对抗这类真菌的方法。该发明还涉及新颖的化合物、制备这些化合物的方法、包含至少一种这样的化合物的组合物、植物健康应用以及至少一种这样的化合物包被的种子。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140243336A1

  公开（公告）日：2014-08-28

  The invention provides certain 2-pyridyl carboxamide-containing compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein A and B are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk) kinase.

  本发明提供了某些含有2-吡啶基羧酰胺的化合物，其化学式为(I)，或其药学上可接受的盐，其中A和B如本文所定义。本发明还提供了包括这些化合物的药物组合物，并且提供了使用这些化合物治疗由脾脏酪氨酸激酶（Syk）介导的疾病或症状的方法。