5-甲基-3-(三氟甲烷)-1H-吡咯-5-硫苯-2-甲醛 | 175202-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-甲基-3-(三氟甲烷)-1H-吡咯-5-硫苯-2-甲醛
• 中文别名: 2-[1-甲基-3-(三氟甲基)吡唑-5-基]-噻吩-5-羧醛；2-[1-甲基-3-(三氟甲基)吡唑-5-基]噻吩-5-甲醛
• 英文名称: 5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carbaldehyde
• 英文别名: 5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxyaldehyde；5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophene-2-carbaldehyde；5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
• CAS: 175202-94-5
• 化学式: C₁₀H₇F₃N₂OS
• 分子量: 260.24
• InChiKey: ZAZOCQFBLVVZPT-UHFFFAOYSA-N

物化性质

• 熔点：
  75-78°C
• 沸点：
  366.3±42.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36,S37,S39
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-甲基-3-(三氟甲烷)-1H-吡咯-5-硫苯-2-甲醛 、 N-(3-piperidin-4-ylphenyl)isobutyramide 生成 2-methyl-N-{3-[1-({5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}methyl)-4-piperidinyl]phenyl}propanamide
  参考文献：
  名称：

  Substituted anilinic piperidines as MCH selective antagonists

  摘要：

  本发明涉及选择性拮抗黑色素浓集激素-1（MCH1）受体的化合物。本发明提供了一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供了一种由本发明化合物的治疗有效量和药学上可接受的载体组成的药物组合物。本发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。

  公开号：

  US20070043080A1

文献信息

• Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase
  申请人：sanofi-aventis

  公开号：EP1939180A1

  公开（公告）日：2008-07-02

  The present invention relates to heteroarylacrylamides of the formula I, in which Het, X, Ra, Rb, R1, R2 and R3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.

  本发明涉及式I的杂环丙烯酰胺， 其中Het、X、Ra、Rb、R1、R2和R3具有权利要求中所示的含义，这些化合物调节内皮型一氧化氮（NO）合酶的转录，并且是有价值的药理活性化合物。具体地，式I的化合物上调内皮型一氧化氮合酶的表达，并可应用于需要增加该酶的表达或增加NO水平或恢复降低的NO水平的情况。本发明还涉及制备式I化合物的方法，包括它们的药物组合物，以及利用式I化合物制造用于刺激内皮型一氧化氮合酶表达或治疗各种疾病的药物，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心脏功能不全等。
• Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation
  申请人：Bhatnagar Neerja

  公开号：US20050215553A1

  公开（公告）日：2005-09-29

  The present invention discloses and claims hexahydropyridazine-3-carboxylic acid hydrazides and hydrazones of formula (I) as inhibitors of proteases and kinases, and methods of using said compounds of formula (I) for the prevention or treatment of certain cardiovascular, central nervous system, inflammatory, and bone diseases as well as infectious diseases and certain cancers. Combinatorial libraries of the compounds of formula (I), pharmaceutical compositions, and methods for the preparation of combinatorial libraries and the compounds of formula (I) are also disclosed and claimed.

  本发明公开并声明公式（I）的六氢吡啶-3-羧酸肼和肼酮作为蛋白酶和激酶的抑制剂，并使用公式（I）的这些化合物预防或治疗某些心血管、中枢神经系统、炎症和骨病以及传染病和某些癌症。还公开并声明了公式（I）的化合物的组合式库、药物组合物以及制备组合式库和公式（I）的化合物的方法。
• Pharmaceutical compound comprising a pyrazole derivative and methods of using the same for the treatment of calcium release-activated calcium channel associated diseases
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US06348480B1

  公开（公告）日：2002-02-19

  The present invention is directed to drugs, in particular, pyrazole derivatives represented by the following general formula (I) which have a calcium release-activated calcium channel inhibitory effect and medicinal compositions, in particular, calcium release-activated calcium channel inhibitors containing the above compounds as the active ingredient, wherein each substituent is defined in the specification. The present invention also relates to a pharmaceutical composition containiing an effective amount of the compound of formula (I) and a pharmaceutically effective carrier. The present invention further relates to methods of treatment of diseases associated with calcium release-activated calcium channels, diseases associated with IL-2 production, and methods of treatment of allergic, inflammatory or auto-immune diseases.

  本发明涉及药物，特别是由以下一般式（I）表示的吡唑衍生物，其具有钙释放激活的钙通道抑制作用和药用组合物，特别是含有上述化合物作为活性成分的钙释放激活的钙通道抑制剂，其中每个取代基在规范中定义。本发明还涉及含有一定量的式（I）化合物和药效载体的药用组合物。本发明还涉及与钙释放激活的钙通道相关的疾病、与IL-2产生相关的疾病以及过敏、炎症或自身免疫疾病的治疗方法。
• Novel N-demethylation of ketolide: application to the solution phase parallel synthesis of N-desosaminyl-substituted ketolides using ion exchange resins
  作者：Alexis Denis、Christelle Renou

  DOI：10.1016/s0040-4039(02)00746-3

  日期：2002.6

  A series of N-desosaminyl-substituted ketolides was synthesized in parallel by reductive amination of various aldehydes by a N-desmethyl-ketolide scaffold followed by a solid phase extraction protocol using ion exchange resins. In addition, we have demonstrated that diethyl azodicarboxylate (DEAD) can be used efficiently as a N-demethylating reagent to access to N-desmethyl-ketolides.

  通过用N-去甲基-酮内酯支架对各种醛进行还原胺化反应，然后使用离子交换树脂进行固相萃取，可以并行合成一系列N-去甲氨酰基取代的缩酮。此外，我们已经证明，偶氮二羧酸二乙酯（DEAD）可以有效地用作N-去甲基化试剂来获得N -desmethyl-ketolides。
• Small molecule inhibitors of caspases
  申请人：——

  公开号：US20030114447A1

  公开（公告）日：2003-06-19

  The present invention provides compounds having formula (I): 1 and pharmaceutically acceptable derivatives thereof, wherein A, B, D, E, G, J, n, and R 1 are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof as caspase inhibitors and for the treatment of disorders caused by excessive apoptotic activity.

  本发明提供了具有式（I）的化合物及其药学上可接受的衍生物，其中A、B、D、E、G、J、n和R1如本文中一般描述和分类，此外还提供了其制药组合物以及用作caspase抑制剂和治疗由过度凋亡活动引起的疾病的方法。