4-(methylsulfonyl)benzohydrazide | 53554-94-2

• 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: 4-(methylsulfonyl)benzohydrazide
• 英文别名: 4-methylsulfonylbenzohydrazide
• CAS: 53554-94-2
• 化学式: C₈H₁₀N₂O₃S
• mdl: MFCD09738045
• 分子量: 214.245
• InChiKey: QAKUWIZIFUAMIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  4-(methylsulfonyl)benzohydrazide 在 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 4-cyclohexyl-5-(4-(methylsulfonyl)phenyl)-4H-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of substituted 3-alkylthio-4,5-diaryl-4H-1,2,4-triazoles as selective COX-2 inhibitors

  摘要：

  A new type of 4,5-diaryl-4H-1,2,4-triazole, possessing C-3 thio and alkylthio (SH, SMe or SEt) substituents was designed and synthesized for evaluation as selective cyclooxygenase-2 (COX-2) inhibitors with in vivo anti-inflarnmatory activity. The compound, 3-etilylthio-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-4H-1,2,4-triazole (10d), exhibited a high in vitro selectivity (COX-1 IC50 = 20.5 nM; COX-2 IC50 = 1.8 nM; SI = 11.39) relative to the reference drug celecoxib (COX-1 IC50 = 3.7 nM; COX-2 IC50 = 2.2 nM; SI = 1.68) and also showed good anti-inflammatory activity compared to celecoxib in a carrageenan-induced rat paw edema assay. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.029
• 作为产物：
  描述：

  4-甲砜基苯甲酸 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 4-(methylsulfonyl)benzohydrazide
  参考文献：
  名称：

  Synthesis of Novel Benzohydrazides Bearing 4-[3-Methyl-4-(methylsulfonyl)pyridin-2-yl] Moiety as Potential Antibacterial Agents

  摘要：

  本研究报道了新型氢肼衍生物8a-k的合成及其抗菌活性，这些衍生物具有4-[3-甲基-4-(亚磺酸基)pyridin-2-yl]基团。采用1H NMR、质谱和红外光谱等技术对这些氢肼衍生物进行了表征。合成的氢肼衍生物通过纸盘扩散法对一组细菌菌株进行了抗菌活性测试，菌株包括大肠杆菌、铜绿假单胞菌、金黄色葡萄球菌和化脓性链球菌。化合物8b、8d、8e、8f、8h、8i对测试生物表现出良好的抗菌活性。

  DOI：

  10.14233/ajchem.2016.19448

文献信息

• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。
• Synthesis, Characterization and Antimicrobial Evaluation of (E)-N'-[(1-(2-methoxy-6-pentadecylbenzyl)-1H-1,2,3-triazol-4-yl]- methylene)benzohydrazide Derivatives
  作者：N. Rambabu、P.K. Dubey、B. Ram、B. Balram

  DOI：10.14233/ajchem.2016.19310

  日期：——

  Anacardic acid (pentadecyl salicylic acid) is a phenolic constituent present in cashew nut shell liquid (Anacardium occidentale L.) and exhibits antimicrobial properties. The present paper describes the synthesis, characterization and antimicrobial evaluation of hydrazone derivatives of anacardic acid (9a-l) linked with 1,2,3-triazole ring. All the newly synthesized compounds were determined by 1H NMR, mass and IR spectroscopy. Compounds 9d, 9e, 9h, 9i and 9j exhibited strong antifungal activity against the tested fungal strains viz., A. niger and C. albicans.

  腰果酚酸（十五烷基水杨酸）是一种存在于腰果壳液（槟榔属植物）中的酚类成分，具有抗菌特性。本文描述了腰果酚酸（9a-l）与1,2,3-三唑环连接的阱类衍生物的合成、表征和抗菌评价。所有新合成的化合物均通过1H核磁共振、质谱和红外光谱进行了鉴定。化合物9d、9e、9h、9i和9j对所测试的真菌菌株，即黑曲霉和白色念珠菌显示出强大的抗真菌活性。
• Synthesis and Structure−Activity Relationship of a New Series of COX-2 Selective Inhibitors:  1,5-Diarylimidazoles
  作者：Carmen Almansa、José Alfón、Alberto F. de Arriba、Fernando L. Cavalcanti、Ignasi Escamilla、Luis A. Gómez、Agustí Miralles、Robert Soliva、Javier Bartrolí、Elena Carceller、Manuel Merlos、Julián García-Rafanell

  DOI：10.1021/jm030765s

  日期：2003.7.1

  The synthesis and the pharmacological activity of a series of 1,5-diarylimidazoles developed as potent and selective cyclooxygenase-2 (COX-2) inhibitors are described. The new compounds were evaluated both in vitro (COX-1 and COX-2 inhibition in human whole blood) and in vivo (carrageenan-induced paw edema, air-pouch, and hyperalgesia tests). Modification of all the positions of two regioisomeric imidazole

  描述了开发为有效和选择性环氧合酶2（COX-2）抑制剂的一系列1,5-二芳基咪唑的合成和药理活性。在体外（在人全血中对COX-1和COX-2的抑制）和在体内（对角叉菜胶引起的爪水肿，气袋和痛觉过敏测试）均对新化合物进行了评估。修饰两个区域异构咪唑核的所有位置导致鉴定出最佳的4- [4-氯-5-（3-氟-4-甲氧基苯基）咪唑-1-基]苯磺酰胺（UR-8880，51f）候选者，目前正在进行I期临床试验。
• [EN] BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS<br/>[FR] DÉRIVÉS BENZODIAZÉPINE UTILISÉS COMME INHIBITEURS DU VIRUS RESPIRATOIRE SYNCYTIAL (RSV)
  申请人：ENANTA PHARM INC

  公开号：WO2017015449A1

  公开（公告）日：2017-01-26

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Respiratory Syncytial Virus (RSV). The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from RSV infection. The invention also relates to methods of treating an RSV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制呼吸道合胞病毒（RSV）。本发明还涉及包含上述化合物的药物组合物，用于治疗患有RSV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的RSV感染的方法。
• Selective androgen receptor modulators
  申请人：Miller Chris P.

  公开号：US20090253758A1

  公开（公告）日：2009-10-08

  This invention provides compounds of formulas I, Ia, Ib, Ic, Id, Ie, and or salts thereof, pharmaceutical compositions comprising a compound of formulas I, Ia, Ib, Ic, Id, Ie, and a pharmaceutically acceptable excipient, methods of modulating the androgen receptor, methods of treating diseases beneficially treated by an androgen receptor modulator (e.g., sarcopenia, prostate cancer, contraception, type 2 diabetes related disorders or diseases, anemia, depression, and renal disease) and processes for making compounds of formulas I, Ia, Ib, Ic, Id, Ie, and intermediates useful in the preparation of same.

  本发明提供了公式I、Ia、Ib、Ic、Id、Ie的化合物，以及它们的盐，包含这些化合物的药物组合物和药用辅料，调节雄激素受体方法，治疗可受益于雄激素受体调节剂（例如，肌肉减少症、前列腺癌、避孕、2型糖尿病相关疾病或病症、贫血、抑郁和肾脏疾病）的疾病的方法，以及制造公式I、Ia、Ib、Ic、Id、Ie的化合物和用于制备这些化合物的中间体的过程。