2-methyl-4((methylsulfonyl)methyl)aniline | 1296198-31-6

• 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: 2-methyl-4((methylsulfonyl)methyl)aniline
• 英文别名: 2-Methyl-4-(methylsulfonylmethyl)aniline
• CAS: 1296198-31-6
• 化学式: C₉H₁₃NO₂S
• 分子量: 199.274
• InChiKey: SVIBMYDQORCHNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-甲基-4-硝基苄溴 在 palladium 10% on activated carbon 氢气 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 5.5h， 生成 2-methyl-4((methylsulfonyl)methyl)aniline
  参考文献：
  名称：

  [EN] COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY
  [FR] COMPOSÉS COUMARINE EN TANT QUE MODULATEURS DE RÉCEPTEURS POSSÉDANT UNE UTILITÉ THÉRAPEUTIQUE

  摘要：

  公开号：

  WO2011050054A3

文献信息

• Quinoline derivatives as ep4 antagonists
  申请人：Belley Michel

  公开号：US20090099226A1

  公开（公告）日：2009-04-16

  The invention is directed to quinoline derivatives as prostaglandin E type receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis and cancer. The derivatives have the following structure of formula (I): wherein A and B represents either a nitrogen atom or a CH group with the proviso that they cannot both simultaneously be CH, Q can represent a nitrogen or a carbon atom, and Y and Z are either a nitrogen atom, a N(O) group or a C(R 5 ) group. Pharmaceutical compositions comprising the derivatives of formula (I) are also included.

  本发明涉及喹啉衍生物作为前列腺素E类型受体拮抗剂，用于治疗EP4介导的疾病或症状，如急性和慢性疼痛、骨关节炎、类风湿性关节炎和癌症。这些衍生物具有以下结构式（I）：其中A和B表示氮原子或CH基团，但不能同时为CH，Q可以表示氮原子或碳原子，Y和Z可以是氮原子、N（O）基团或C（R5）基团。还包括含有式（I）的衍生物的制药组合物。
• COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY
  申请人：Heidelbaugh Todd M.

  公开号：US20120328661A1

  公开（公告）日：2012-12-27

  The present invention relates to novel 2-oxo-2H-chromene-3-carboxamide derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及新型2-氧代-2H-香豆素-3-羧酰胺衍生物，制备它们的方法，含有它们的制药组合物以及它们作为调节鞘氨醇-1-磷酸受体的药物的用途。
• NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF
  申请人：LUOXIN PHARMACEUTICAL (SHANGHAI) CO., LTD.

  公开号：US20190284192A1

  公开（公告）日：2019-09-19

  Disclosed in the present invention are a nitrogenous macrocyclic compound, a preparation method therefor, a pharmaceutical composition and an application thereof. The present invention provides a nitrogenous macrocyclic compound represented by formula III-0, a tautomer thereof, an optical isomer thereof, a hydrate thereof, a solvate thereof, a pharmacologically acceptable salt thereof, or a prodrug thereof. The compound can be effectively bond with bromodomains of a BET family: BRD4, BRD3, BRD2, and BRDT, so as to adjust transcription of a downstream gene c-myc and a related target gene thereof, and further to adjust a downstream signal path and play a particular role, comprising treating diseases such as inflammatory diseases, cancers, and AIDS.
• US8013159B2
  申请人：——

  公开号：US8013159B2

  公开（公告）日：2011-09-06
• US9073888B2
  申请人：——

  公开号：US9073888B2

  公开（公告）日：2015-07-07