N-(4-amino-phenyl)-N-methyl-glycine | 7207-35-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(4-amino-phenyl)-N-methyl-glycine
• 英文别名: N-(4-Amino-phenyl)-N-methyl-glycin；N-(4-Aminophenyl)-N-methylglycine；2-(4-amino-N-methylanilino)acetic acid
• CAS: 7207-35-4
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: BBHZXMXCSXNSCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 锌 作用下， 生成 N-(4-amino-phenyl)-N-methyl-glycine
  参考文献：
  名称：

  Katschurin, 1957, vol. 18, p. 71,76

  摘要：

  DOI：

文献信息

• Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases
  申请人：——

  公开号：US20030220326A1

  公开（公告）日：2003-11-27

  Pharmaceutical compositions containing effective amounts of CDK-inhibiting diaminothiazole compounds of the following formula (where R 1 and R 2 are as defined in the specification) or their salts, or prodrugs or active metabolites of such compounds or salts, are useful for treating disorders and diseases such as cancer: 1 In preferred embodiments, R 1 and R 2 are independently unsubstituted or substituted carbocyclic or heterocyclic aryl ring structures. Compounds where R 2 is ortho-substituted aryl are especially potent inhibitors of CDKs such as CDK4.

  含有以下公式中CDK抑制二氨基噻唑化合物的有效量的药物组合物（其中R1和R2如规范所定义）或其盐，或这些化合物或盐的前药或活性代谢物，可用于治疗癌症等疾病和疾病。在首选实施例中，R1和R2分别是未取代或取代的碳环或杂环芳香环结构。其中R2为邻位取代芳香族的化合物特别是CDKs如CDK4的有效抑制剂。
• 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：EP1215208A2

  公开（公告）日：2002-06-19

  This invention is directed to aminothiazole compounds of formula (I) wherein R1 is a substituted or unsubstituted group selected from : C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; C1-6-alkoxyl; C1-6-alcohol; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; carbonyl; ether; (C1-6-alkyl)-carbonyl; (C1-6-alkyl)-aryl; (C1-6-alkyl)-cycloalkyl; (C1-6-alkyl)-(C1-6-alkoxyl); aryl-(C1-6-alkoxyl); thioether; thiol; and sulfonyl; wherein when R1 is substituted, each substituent independently is a halogen; haloalkyl; C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; hydroxyl; C1-6-alkoxyl; amino; nitro; thiol, thioether; imine; cyano; amido; phosphonato; phosphine; carboxyl; thiocarbonyl; sulfonyl; sulfonamide; ketone; aldehyde; ester; oxygen; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; or carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; and R2 is a carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, ring structure having a substituent at the position adjacent to the point of attachment, which ring structure is optionally further substituted, where each substituent of R2 independently is a halogen; haloalkyl; C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; hydroxyl; C1-6-alkoxyl; amino; nitro; thiol; thioether; imine; cyano; amido; phosphonato; phosphine; carboxyl; thiocarbonyl; sulfonyl; sulfonamide; ketone; aldehyde; ester; oxygen; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; or carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; or a pharmaceutically acceptable salt of a compound of formula (I), or a prodrug or pharmaceutically active metabolite of a compound of formula (I) or pharmaceutically acceptable salt thereof, for inhibiting cyclin-dependent kinases (CDKs), such as CDK1, CDK2, CDK4, and CDK6. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds and to methods of treating malignancies and other disorders by administering effective amounts of such compounds.

  本发明涉及式（I）的氨基噻唑化合物，其中 R1 是一个取代或未取代的基团，选自......：C1-6-烷基；C1-6-烯基；C1-6-炔基；C1-6-烷氧基；C1-6-醇；碳环或杂环、单环或融合或不融合多环、环烷基；碳环或杂环、单环或融合或不融合多环、芳基；羰基；醚；(C1-6-烷基)-羰基；(C1-6-烷基)-芳基；(C1-6-烷基)-环烷基；(C1-6-烷基)-(C1-6-烷氧基)；芳基-(C1-6-烷氧基)；硫醚；硫醇；和磺酰基；其中，当 R1 被取代时，每个取代基独立地为卤素；卤代烷基；C1-6-烷基；C1-6-烯基；C1-6-炔基；羟基；C1-6-烷氧基；氨基；硝基；硫醇、硫醚；亚胺；氰基；氨基；膦酰基；膦；羧基；硫代羰基；磺酰基；磺酰胺；酮；醛；酯；氧；碳环或杂环、单环或有熔合或无熔合多环、环烷基；或碳环或杂环、单环或有熔合或无熔合多环、芳基；和 R2 是碳环或杂环、单环或融合或不融合多环、环状结构，在邻近连接点的位置有一个取代基，该环状结构可选择被进一步取代，其中 R2 的每个取代基独立地是卤素；卤代烷基；C1-6-烷基；C1-6-烯基；C1-6-炔基；羟基；C1-6-烷氧基；氨基；硝基；硫醇；硫醚；亚胺；氰基；氨基；膦酰基；膦；羧基；硫代羰基；磺酰基；磺酰胺；酮；醛；酯；氧；碳环或杂环、单环或有熔合或无熔合多环、环烷基；或碳环或杂环、单环或有熔合或无熔合多环、芳基；或式（I）化合物的药学上可接受的盐，或式（I）化合物或其药学上可接受的盐的原药或药学活性代谢物，用于抑制细胞周期蛋白依赖性激酶（CDKs），如 CDK1、CDK2、CDK4 和 CDK6。本发明还涉及含有此类化合物的药物组合物的治疗或预防用途，以及通过施用有效量的此类化合物治疗恶性肿瘤和其他疾病的方法。
• 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1056732A2

  公开（公告）日：2000-12-06
• [EN] 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES<br/>[FR] DERIVES DE 4-AMINOTHIAZOLE, LEUR PREPARATION ET LEUR UTILISATION COMME INHIBITEURS DE KINASES CYCLINODEPENDANTES
  申请人：——

  公开号：WO1999021845A2

  公开（公告）日：1999-05-06

  [EN] This invention is directed to aminothiazole compounds of formula (I) wherein R<1> is a substituted or unsubstituted group selected from: C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; C1-6-alkoxyl; C1-6-alcohol; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; carbonyl; ether; (C1-6-alkyl)-carbonyl; (C1-6-alkyl)-aryl; (C1-6-alkyl)-cycloalkyl; (C1-6-alkyl)-(C1-6-alkoxyl); aryl-(C1-6-alkoxyl); thioether; thiol; and sulfonyl; wherein when R<1> is substituted, each substituent independently is a halogen; haloalkyl; C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; hydroxyl; C1-6-alkoxyl; amino; nitro; thiol; thioether; imine; cyano; amido; phosphonato; phosphine; carboxyl; thiocarbonyl; sulfonyl; sulfonamide; ketone; aldehyde; ester; oxygen; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; or carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; and R<2 >is a carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, ring structure having a substituent at the position adjacent to the point of attachment, which ring structure is optionally further substituted, where each substituent of R<2> independently is a halogen; haloalkyl; C1-6-alkyl; C1-6-alkenyl; C1-6-alkynyl; hydroxyl; C1-6-alkoxyl; amino; nitro; thiol; thioether; imine; cyano; amido; phosphonato; phosphine; carboxyl; thiocarbonyl; sulfonyl; sulfonamide; ketone; aldehyde; ester; oxygen; carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, cycloalkyl; or carbocyclic or heterocyclic, monocyclic or fused or non-fused polycyclic, aryl; or a pharmaceutically acceptable salt of a compound of formula (I), or a prodrug or pharmaceutically active metabolite of a compound of formula (I) or pharmaceutically acceptable salt thereof, for inhibiting cyclin-dependent kinases (CDKs), such as CDK1, CDK2, CDK4, and CDK6. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds and to methods of treating malignancies and other disorders by administering effective amounts of such compounds.
  [FR] L'invention a trait à des composés d'aminothiazole représentés par la formule (I), dans laquelle R<1> est un groupe substitué ou non substitué, sélectionné parmi les groupes: alkyle en C1-6; alcényle en C1-6; alcynyle en C1-6; alcoxyle en C1-6; alcool en C1-6; cycloalkyle carbocyclique ou hétérocyclique, monocyclique ou polycyclique condensé ou non condensé; aryle carbocyclique ou hétérocyclique, monocyclique ou polycyclique condensé ou non condensé; carbonyle; éther; (C1-6-alkyl)-carbonyle; (C1-6-alkyl)-aryle; (C1-6-alkyl)-cycloalkyle; (C1-6-alkyl)-(C1-6-alcoxyle); aryle-(C1-6-alcoxyle); thioéther; thiol; et sulfonyle; R<1> étant substitué, chaque substituant étant indépendamment halogène; haloalkyle; alkyle en C1-6; alcényle en C1-6; alcynyle en C1-6; hydroxyle; alcoxyle en C1-6; amino; nitro; thiol; thioéther; imine; cyano; amido; phosphonato; phosphine; carboxyle; thiocarbonyle; sulfonyle; sulfonamide; cétone; aldéhyde; ester; oxygène; cycloalkyle carbocyclique ou hétérocyclique, monocyclique ou polycyclique condensé ou non condensé; ou aryle carbocyclique ou hétérocyclique, monocyclique ou polycyclique, condensé ou non condensé; et R<2> est une structure de noyau carbocyclique ou hétérocyclique, monocyclique ou polycyclique, condensé ou non condensé, possédant un substituant à la position adjacente au point de fixation, cette structure de noyau étant éventuellement substituée davantage, chaque substituant de R<2> étant indépendamment halogène; haloalkyle; alkyle en C1-6; alcényle en C1-6; alcynyle en C1-6; hydroxyle; alcoxyle en C1-6; amino; nitro; thiol; thioéther; imine; cyano; amido; phosphonato; phosphine; carboxyle; thiocarbonyle; sulfonyle; sulfonamide; cétone; aldéhyde; ester; oxygène; cycloalkyle carbocyclique ou hétérocyclique, monocyclique ou polycyclique condensé ou non condensé; ou aryle carbocyclique ou hétérocyclique, monocyclique ou polycyclique, condensé ou non condensé. L'invention a trait à un sel pharmaceutiquement acceptable d'un composé représenté par la formule (I), à un promédicament ou à un métabolite pharmaceutiquement actif d'un composé représenté par la formule (I) ou à un sel pharmaceutiquement acceptable de celui-ci, servant à inhiber des kinases cyclinodépendantes (CDK) telles que CDK1, CDK2, CDK4 et CDK6. L'invention a également trait à l'utilisation à des fins thérapeutiques ou prophylactiques de compositions pharmaceutiques contenant ces composés, et à des méthodes de traitement d'affections malignes et d'autres troubles par l'administration de quantités efficaces de ces composés.