phenyl(1H-pyrazol-4-yl)methanone | 37687-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenyl(1H-pyrazol-4-yl)methanone
• 英文别名: 4-Benzoylpyrazole
• CAS: 37687-16-4
• 化学式: C₁₀H₈N₂O
• 分子量: 172.186
• InChiKey: NPRXQXFTKCBAAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenyl(1H-pyrazol-4-yl)methanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以96%的产率得到4-(α-hydroxybenzyl)pyrazole
  参考文献：
  名称：

  Heinisch, Gottfried; Holzer, Wolfgang; Huber, Thierry, Archiv der Pharmazie, 1987, vol. 320, # 12, p. 1267 - 1272

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴吡唑 、 苯甲酸乙酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 phenyl(1H-pyrazol-4-yl)methanone
  参考文献：
  名称：

  PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT

  摘要：

  Pyrimidine and Pyridine containing compounds are described herein that are enzyme p70S6K inhibitors useful in the treatment of S6K-dependent or S6K-mediated diseases and conditions, including but not limited to cancer, fibrotic metabolic and certain neurological disorders.

  公开号：

  US20220396564A1

文献信息

• [EN] SEROTONIN 5-HT2B RECEPTOR INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR 5-HT2B DE LA SÉROTONINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010080357A1

  公开（公告）日：2010-07-15

  Disclosed are Serotonin 5-HT2B receptor inhibitors of the formula I. Also disclosed are methods of making and methods of using these compounds.

  揭示了式I的5-HT2B受体拮抗剂。还公开了制备这些化合物的方法和使用这些化合物的方法。
• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102311A1

  公开（公告）日：2020-04-02

  Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R 2 , R 3 R 4 , R 5 and R 6 are defined herein.

  桥接化合物，其结构式为(I)和(II)，包含它们的药物组合物，制造它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、障碍和状况的方法，如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、难治性抑郁、焦虑性抑郁、双相情感障碍）、癌症和眼科疾病相关的方法。 其中R2、R3、R4、R5和R6的定义如下。
• [EN] PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE<br/>[FR] DÉRIVÉS DE PYRIDO[3',2':4,5]THIÉNO[3,2-D]PYRIMIDIN-4-YLAMINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：BAELL JONATHAN BAYLDON

  公开号：WO2012131297A1

  公开（公告）日：2012-10-04

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain fused triaryl amine compounds of the following formula (for convenience, collectively referred to herein as "FTA compounds"), which, inter alia, inhibit LIM kinase (LIMK) activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit LIMK activity, and in the treatment of diseases and conditions that are mediated by LIMK, that are ameliorated by the inhibition of LIMK activity, etc., including proliferative conditions such as cancer (e.g., breast cancer, prostate cancer, melanoma, glioma, etc.), as well as vasodilation (including, e.g., hypertension, angina, cerebral vasospasm, and ischemia following subarachnoid hemorrhage), neurodegenerative disorders, atherosclerosis, fibrosis, and inflammatory diseases (including, e.g., Crohn's disease and chronic obstructive pulmonary disease (COPD)), and glaucoma (also known as ocular hypertension).

  本发明一般涉及治疗化合物领域，更具体地涉及以下公式的某些融合三芳基胺化合物（为方便起见，统称为“FTA化合物”），该化合物等等可以抑制LIM激酶（LIMK）活性。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体内和体外抑制LIMK活性，以及治疗由LIMK介导，通过抑制LIMK活性得到改善等疾病和症状的用途，包括增生性疾病，如癌症（如乳腺癌、前列腺癌、黑色素瘤、胶质瘤等），以及血管扩张（包括高血压、心绞痛、脑血管痉挛和蛛网膜下腔出血后缺血等）、神经退行性疾病、动脉硬化、纤维化和炎症性疾病（如克罗恩病和慢性阻塞性肺病（COPD）），以及青光眼（又称眼高压）等。
• 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES
  申请人：Ahrens Hartmut

  公开号：US20110045980A1

  公开（公告）日：2011-02-24

  4-(3-Alkylthiobenzoyl)pyrazoles of the formula (I) are described as herbicides. In this formula (I), X, Y, R 1 , R 2 , R 3 and R 4 represent radicals such as hydrogen, organic radicals such as alkyl, and other radicals such as halogen.

  公式(I)中描述了作为除草剂的4-(3-烷基硫基苯甲酰)吡唑。在这个公式(I)中，X、Y、R1、R2、R3和R4代表氢、烷基等有机基团以及卤素等其他基团。
• 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides
  申请人：Ahrens Hartmut

  公开号：US20080305956A1

  公开（公告）日：2008-12-11

  What is described are 3-cyclopropyl-4-(3-thiobenzoyl)pyrazoles of the general formula (I) and their use as herbicides In this formula (I), R 1 , R 2 , R 3 , X and Y are radicals such as hydrogen and organic radicals, such as alkyl. R 4 is hydrogen or a protective group, such as tosyl.

  所描述的是通式（I）的3-环丙基-4-(3-硫代苯甲酰基)吡唑醇，以及它们作为除草剂的用途。在这个通式（I）中，R1、R2、R3、X和Y是氢原子和有机基团，如烷基等。R4是氢原子或保护基团，如对甲苯基。