3-(Thiomorpholin-4-ylmethyl)aniline | 237432-15-4

• 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: 3-(Thiomorpholin-4-ylmethyl)aniline
• CAS: 237432-15-4
• 化学式: C₁₁H₁₆N₂S
• mdl: MFCD11172064
• 分子量: 208.327
• InChiKey: TUTPFTCILWEGMR-UHFFFAOYSA-N

物化性质

• 沸点：
  358.5±37.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Thiomorpholin-4-ylmethyl)aniline 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 (4-Chloro-benzyl)-(3-thiomorpholin-4-ylmethyl-phenyl)-amine
  参考文献：
  名称：

  Antimycobacterial activity of new ortho-, meta- and para-toluidine derivatives

  摘要：

  Novel toluidine derivatives are described. Some of them showed an interesting in vitro activity against Mycobacterium tuberculosis, M. smegmatis, M. marinum, M. gordonae, and M. avium. Some of them were more active than Streptomycin and Isoniazid, which were used as controls, against M. avium and M. gordonae. In particular, we confirm the good activity of biphenyl derivatives. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00084-1
• 作为产物：
  描述：

  间硝基氯化苄 在 盐酸 、 potassium carbonate 、 sodium iodide 、 tin(ll) chloride 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 3.5h， 生成 3-(Thiomorpholin-4-ylmethyl)aniline
  参考文献：
  名称：

  Mai, Antonello; Sbardella, Gianluca; Artico, Marino, Medicinal Chemistry Research, 1999, vol. 9, # 3, p. 149 - 161

  摘要：

  DOI：

文献信息

• [EN] 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉS DÉRIVÉS DE 1,3,4-OXADIAZOLE SULFONAMIDE SERVANT D'INHIBITEUR DE L'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE COMPRENANT CEUX-CI
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2017018803A1

  公开（公告）日：2017-02-02

  The present invention relates to novel compounds represented by the formula I having histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof, the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions containing the same, a method for treating diseases using the composition, and methods for preparing the novel compounds. (I) The novel compounds, stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present invention have histone deacetylase (HDAC) inhibitory activity and are effective for the prevention or treatment of HDAC6-mediated diseases.

  本发明涉及具有组蛋白去乙酰化酶6（HDAC6）抑制活性的新化合物，其立体异构体或药学上可接受的盐，其用于制备治疗药物，含有相同化合物的药物组合物，使用该组合物治疗疾病的方法，以及制备新化合物的方法。根据本发明，这些新化合物、其立体异构体或药学上可接受的盐具有组蛋白去乙酰化酶（HDAC）抑制活性，并且对于预防或治疗HDAC6介导的疾病有效。
• BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP3056202A1

  公开（公告）日：2016-08-17

  The present invention relates to benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer, and pharmaceutical compositions containing at least one of said benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer.

  本发明涉及苯并吡咯烷酮衍生物和/或其药用可接受盐，用于治疗传染病或癌症，并包含至少一种所述苯并吡咯烷酮衍生物和/或其药用可接受盐的药物组合物，用于治疗传染病或癌症。
• 2-Phenyl-substituierte Imidazotriazinone als Phoshodiesterase Inhibitoren
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP1174431B1

  公开（公告）日：2012-05-30
• [EN] BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES<br/>[FR] DÉRIVÉS DE BENZOPYRROLIDONE POSSÉDANT DES PROPRIÉTÉS ANTIVIRALES ET ANTICANCÉREUSES
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V

  公开号：WO2016131789A1

  公开（公告）日：2016-08-25

  The present invention relates to benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer, and pharmaceutical compositions containing at least one of said benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer.
• Antimycobacterial activity of new ortho-, meta- and para-toluidine derivatives
  作者：Mariangela Biava、Rossella Fioravanti、Giulio Cesare Porretta、Giancarlo Sleiter、Delia Deidda、Giorgio Lampis、Raffaello Pompei

  DOI：10.1016/s0014-827x(99)00084-1

  日期：1999.11

  Novel toluidine derivatives are described. Some of them showed an interesting in vitro activity against Mycobacterium tuberculosis, M. smegmatis, M. marinum, M. gordonae, and M. avium. Some of them were more active than Streptomycin and Isoniazid, which were used as controls, against M. avium and M. gordonae. In particular, we confirm the good activity of biphenyl derivatives. (C) 1999 Elsevier Science S.A. All rights reserved.