2-((甲基磺酰基)甲基)苯胺 | 25195-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-((甲基磺酰基)甲基)苯胺
• 英文名称: 2-((methylsulfonyl)methyl)aniline
• 英文别名: α-(Methylsulfonyl)-o-toluidin；2-methanesulfonylmethyl-aniline；Methyl-(2-amino-benzyl)-sulfon；2-Methansulfonylmethyl-anilin；2-methanesulfonylmethyl-phenylamine；2-Methylsulfonmethyl-anilin；2-(Methanesulfonylmethyl)aniline；2-(methylsulfonylmethyl)aniline
• CAS: 25195-69-1
• 化学式: C₈H₁₁NO₂S
• mdl: MFCD12823721
• 分子量: 185.247
• InChiKey: FYOZRCYKUKGDHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  2-((甲基磺酰基)甲基)苯胺 在 铁粉 、 氯化铵 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 N-(3-fluoro-4-((2-((2-((methylsulfonyl)methyl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
  参考文献：
  名称：

  Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity

  摘要：

  Both c-Met and VEGFR-2 are important targets for cancer therapies. Here we report a series of potent dual c-Met and VEGFR-2 inhibitors bearing an anilinopyrimidine scaffold. Two novel synthetic protocols were employed for rapid analoguing of the designed molecules for structure activity relationship (SAR) exploration. Some analogues displayed nanomolar potency against c-Met and VEGFR-2 at enzymatic level. Privileged compounds 3a, 3b, 3g, 3h, and 18a exhibited potent antiproliferative effect against c-Met addictive cell lines with IC50 values ranged from 0.33 to 1.7 mu M. In addition, a cocrystal structure of c-Met in complex with 3h has been determined, which reveals the binding mode of c-Met to its inhibitor and helps to interpret the SAR of the analogues.

  DOI：

  10.1021/ml500066m
• 作为产物：
  描述：

  2-硝基苄氯 在 甲醇 作用下， 生成 2-((甲基磺酰基)甲基)苯胺
  参考文献：
  名称：

  DE623883

  摘要：

  公开号：

文献信息

• BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS
  申请人：ALLERGAN, INC.

  公开号：US20130150413A1

  公开（公告）日：2013-06-13

  The present invention relates to novel benzisothiazol-3(1H)-one-5-sulfonyl derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of chemokine receptors.

  本发明涉及新型苯并异噻唑-3(1H)-酮-5-磺酰衍生物，其制备方法，含有它们的药物组合物以及它们作为药物的用途，用作化学因子受体的调节剂。
• Diamino-pyrimidines and their use as angiogenesis inhibitors
  申请人：Chamberlain Dawes Stanley

  公开号：US20050234083A1

  公开（公告）日：2005-10-20

  Benzimidazole derivatives, which are useful as TIE-2 and/or VEGFR-2 inhibitors are described herein. The described invention also includes methods of making such benzimidazole derivatives as well as methods of using the same in the treatment of hyperproliferative diseases.

  本文描述了作为TIE-2和/或VEGFR-2抑制剂有用的苯并咪唑衍生物。所述发明还包括制备这种苯并咪唑衍生物的方法，以及将其用于治疗过度增殖性疾病的方法。
• AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS
  申请人：Harris Joel M.

  公开号：US20110105513A1

  公开（公告）日：2011-05-05

  Compounds of the Formula (I), where W represents CH or N; and Q represents —CN, —C(═NOH)NH 2 , —CONHR 1 or various herein described heterocyclic radicals; as well as pharmaceutically acceptable salts, solvates, esters and prodrugs thereof. Care adenosine A 2a receptor antagonists and, therefore, are useful in the treatment of central nervous system diseases, in particular Parkinson's disease.

  化合物的公式（I），其中W代表CH或N; Q代表—CN、—C(═NOH)NH2、—CONHR1或各种在此描述的杂环基团; 以及其药学上可接受的盐、溶剂化物、酯和前药。这些化合物是腺苷A2A受体拮抗剂，因此在中枢神经系统疾病，特别是帕金森病的治疗中是有用的。
• Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives
  申请人：Cephalon, Inc.

  公开号：US20130296312A1

  公开（公告）日：2013-11-07

  This application relates, in part, to compounds of the general Formula I and/or salts thereof, wherein X, R 1A , R 1B , R 2 , R 3 , R 4 , and R 5 are as defined herein. The application also relates to compositions and methods of inhibiting at least JAK2 in subjects in recognized need thereof for the treatment of diseases or disorders for which inhibition of at least JAK2 is indicated.

  该应用程序部分涉及一般式I化合物和/或其盐，其中X、R1A、R1B、R2、R3、R4和R5的定义如本文所述。该应用程序还涉及组合物和方法，用于抑制至少在有需要的患者中的JAK2，以治疗需要抑制至少JAK2的疾病或疾病。
• Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives
  申请人：Curry Matthew A.

  公开号：US08501936B2

  公开（公告）日：2013-08-06

  This application relates to compounds of the general Formula I and salts thereof, wherein X, R1A, R1B, R2, R3, R4, and R5 are as defined herein. The application also relates to compositions and methods of treatment of hyperproliferative diseases or disorders.

  本申请涉及一般式I的化合物及其盐，其中X、R1A、R1B、R2、R3、R4和R5的定义如本文所述。本申请还涉及治疗过度增殖性疾病或障碍的组合物和方法。