4-氨基-N-(2,6-二甲基苯基)苯磺酰胺 | 6973-47-3

• 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: 4-氨基-N-(2,6-二甲基苯基)苯磺酰胺
• 英文名称: 4-amino-N-(2,6-dimethylphenyl)benzenesulfonamide
• 英文别名: sulfanilic acid-(2,6-dimethyl-anilide)；Sulfanilsaeure-(2,6-dimethyl-anilid)
• CAS: 6973-47-3
• 化学式: C₁₄H₁₆N₂O₂S
• mdl: MFCD00124573
• 分子量: 276.359
• InChiKey: QFJZPNSHJNCXMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-氨基-N-(2,6-二甲基苯基)苯磺酰胺 、 8-(ethoxymethylene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one 以 乙醇 为溶剂， 反应 18.0h， 生成 N-(2,6-dimethylphenyl)-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzenesulfonamide
  参考文献：
  名称：

  Oxindole-Based Inhibitors of Cyclin-Dependent Kinase 2 (CDK2):  Design, Synthesis, Enzymatic Activities, and X-ray Crystallographic Analysis

  摘要：

  Two closely related classes of oxindole-based compounds, 1H-indole-2,3-dione 3-phenylhydrazones and 3-(anilinomethylene)-1,3-dihydro-2H-indol-2-ones, were shown to potently inhibit cyclin-dependent kinase 2 (CDK2). The initial lead compound was prepared as a homologue of the 3-benzylidene-1,3-dihydro-2H-indol-2-one class of kinase inhibitor. Crystallographic analysis of the lead compound bound to CDK2 provided the basis for analogue design. A semiautomated method of ligand docking was used to select compounds for synthesis, and a number of compounds with low nanomolar inhibitory activity versus CDK2 were identified. Enzyme binding determinants for several analogues were evaluated by X-ray crystallography. Compounds in this series inhibited CDK2 with a potency similar to 10-fold greater than that for CDK1. Members of this class of inhibitor cause an arrest of the cell cycle and have shown potential utility in the prevention of chemotherapy-induced alopecia.

  DOI：

  10.1021/jm010117d
• 作为产物：
  描述：

  2,6-二甲基苯胺 在 吡啶 、 sodium hydroxide 、 丙酮 作用下， 生成 4-氨基-N-(2,6-二甲基苯基)苯磺酰胺
  参考文献：
  名称：

  Marchant; Lucas; McClelland, Canadian Journal of Research, Section B: Chemical Sciences, 1942, vol. 20, p. 5,7, 9

  摘要：

  DOI：

文献信息

• Aryl aniline beta2 adrenergic receptor agonists
  申请人：——

  公开号：US20030229058A1

  公开（公告）日：2003-12-11

  The invention provides novel &bgr; 2 adrenergic receptor agonist compounds of formula (I): 1 wherein R 1 -R 13 and w have any of the values described in the specification. The invention also provides combinations of such compounds and other therapeutic agents, pharmaceutical compositions comprising such compounds and combinations, methods of using such compounds to treat diseases associated with &bgr; 2 adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式（I）的新型β2肾上腺素受体激动剂化合物： 其中R1-R13和w具有规范中描述的任何值。该发明还提供了这些化合物与其他治疗剂的组合，包含这些化合物和组合物的药物组合物，使用这些化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这些化合物的有用的过程和中间体。
• [EN] ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] AGONISTES ARYLANILINE DES RECEPTEURS ADRENERGIQUES DOLLAR G(B)2
  申请人：THERAVANCE INC

  公开号：WO2003042164A1

  公开（公告）日：2003-05-22

  The invention provides novel β2 adrenergic receptor agonist compounds of formula (I): wherein R1-R13 and w have any of the values described in the specification. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat diseases associated with β¿2? adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  本发明提供了一种新的β2肾上腺素受体激动剂化合物，其化学式为(I)：其中R1-R13和w具有规范中描述的任何值。本发明还提供了包含这种化合物的药物组合物，使用这种化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这种化合物的过程和中间体。
• ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS
  申请人：Theravance, Inc.

  公开号：EP1446379A1

  公开（公告）日：2004-08-18
• COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID
  申请人：Theravance, Inc.

  公开号：EP1641465A2

  公开（公告）日：2006-04-05
• US6670376B1
  申请人：——

  公开号：US6670376B1

  公开（公告）日：2003-12-30