1-[2-(methylsulfanyl)phenyl]hydrazine | 88965-67-7

• 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: 1-[2-(methylsulfanyl)phenyl]hydrazine
• 英文别名: (2-(methylthio)phenyl)hydrazine；[2-(methylthio)phenyl]hydrazine；2-methylthiophenylhydrazine；(2-methylsulfanyl-phenyl)-hydrazine；2-Hydrazino-thiophenol-methylaether；(2-Methylmercapto-phenyl)-hydrazin；Hydrazine, [2-(methylthio)phenyl]-；(2-methylsulfanylphenyl)hydrazine
• CAS: 88965-67-7
• 化学式: C₇H₁₀N₂S
• mdl: MFCD02663073
• 分子量: 154.236
• InChiKey: CUXIXAPJSZQSIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[2-(methylsulfanyl)phenyl]hydrazine 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1R,2R)-N-(1-cyanocyclopropyl)-2-{[6-(methylthio)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]carbonyl}cyclohexanecarboxamide
  参考文献：
  名称：

  (1R,2R)-N-(1-Cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): A Potent and Highly Selective Cathepsin K Inhibitor for the Treatment of Osteoarthritis

  摘要：

  Directed screening of nitrile compounds revealed 3 as a highly potent cathepsin K inhibitor but with cathepsin S activity and very poor stability to microsomes. Synthesis of compounds with reduced molecular complexity, such as 7, revealed key SAR and demonstrated that baseline physical properties and in vitro stability were in fact excellent for this series. The tricycle carboline P3 unit was discovered by hypothesis-based design using existing structural information. Optimization using small substituents, knowledge from matched molecular pairs, and control of lipophilicity yielded compounds very close to the desired profile, of which 34 (AZD4996) was selected on the basis of pharmacokinetic profile.

  DOI：

  10.1021/jm3007257
• 作为产物：
  描述：

  2-氨基茴香硫醚 在 盐酸 、 sodium nitrite 、 tin(ll) chloride 、 sodium hydroxide 作用下， 以 水 为溶剂， 生成 1-[2-(methylsulfanyl)phenyl]hydrazine
  参考文献：
  名称：

  快速发现抑制禾谷镰刀菌的新型抗真菌药物：从色氨酸结构的系统优化中得出的 3-(苯氨基)喹唑啉-4(3H)-ones

  摘要：

  禾谷镰刀菌不断增加的抗性已成为一个紧迫的农业问题，可以通过开发具有独特作用机制的新型杀菌剂来解决。为了发现抑制禾谷镰刀菌的新型抗真菌药物，对色氨酸结构进行了巧妙优化，以生成 30 种新型 quinazolin-4(3 H )-one 衍生物。上述优化产生了具有令人振奋的体外抗禾谷镰刀菌作用的分子C 17 (EC 50值 = 0.76 μg/mL)。此后，体内抗禾谷镰刀菌在 200 μg/mL 时，分子C 17的预防效力测得为 59.5%，这与多菌灵 (64.9%) 的预防效力大致相当。此外，形态学观察表明，分子C 17可以使菌丝变得细长和致密，扭曲细胞壁的轮廓，诱导脂质体数量增加，并导致线粒体数量减少。上述结果已成为开发可有效控制镰刀菌头枯病的新型抗真菌药物的必要补充。

  DOI：

  10.1021/acs.jafc.2c04933

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• [EN] TRICYCLIC PYRAZOL AMINE DERIVATIVES<br/>[FR] DÉRIVÉS TRICYCLIQUES DE PYRAZOLAMINE
  申请人：MERCK SERONO SA

  公开号：WO2011058149A1

  公开（公告）日：2011-05-19

  This invention relates to compounds of Formula (I*) as Pi3k inhibitors for treating autoimmune diseases, inflammatory disorders, multiple sclerosis and other diseases like cancers.

  这项发明涉及到 Formula (I*) 的化合物作为 Pi3k 抑制剂，用于治疗自身免疫疾病、炎症性疾病、多发性硬化等疾病，以及癌症等其他疾病。
• Novel Compound - 827
  申请人：Dossetter Alexander Graham

  公开号：US20090012077A1

  公开（公告）日：2009-01-08

  The present invention relates to compounds and compositions for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases, including cathepsins B, K, C, F, H, L, O, S, W and X. Of particular interest are diseases associated with Cathepsin K.

  本发明涉及用于治疗与半胱氨酸蛋白酶活性相关疾病的化合物和组合物。这些化合物是半胱氨酸蛋白酶的可逆抑制剂，包括卡特普辛B、K、C、F、H、L、O、S、W和X。特别感兴趣的是与卡特普辛K相关的疾病。
• PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20190381019A1

  公开（公告）日：2019-12-19

  Disclosed are compounds, compositions and methods for treating of diseases, syndromes, conditions, and disorders that are affected by the modulation of MALT 1. Such compounds are represented by Formula (I) as follows: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and G, are defined herein.

  揭示了一种通过调节MALT 1来治疗受影响的疾病、综合征、状况和紊乱的化合物、组合物和方法。这些化合物由以下的化学式（I）代表：其中R1、R2、R3、R4、R5和G在此处被定义。
• Prostaglandin D2 receptor antagonists
  申请人：——

  公开号：US20010047027A1

  公开（公告）日：2001-11-29

  Certain tetrahydrocarbazole-1-acetic acid derivatives are potent and selective antagonists of the prostaglandin D2 receptor, and are therefore useful in the treatment of allergic conditions such as allergic rhinitis.

  某些四氢吲哚-1-乙酸衍生物是前列腺素D2受体的强效和选择性拮抗剂，因此在治疗过敏性疾病如过敏性鼻炎方面非常有用。