(2-chloro-benzyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine | 38941-28-5

• 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-chloro-benzyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
• 英文别名: N-(2-chloro-benzyl)-4,5-dihydro-1H-imidazol-2-amine；2-(2-Chlor-benzylamino)-2-imidazolin；N-[(2-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
• CAS: 38941-28-5
• 化学式: C₁₀H₁₂ClN₃
• 分子量: 209.678
• InChiKey: RRUAZGCMEWATRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  36.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2-chloro-benzyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine 在 palladium on activated charcoal 氢气 、 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 N-[7-amino-8-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide
  参考文献：
  名称：

  Substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones

  摘要：

  The synthesis of a series of substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones is described. Several members of the series exhibit enhanced antiallergic and bronchodilator activity and reduced side effects as compared to theophylline. Structure-activity relationships and metabolic considerations are discussed for the series. Analogues substituted with a 4-(4-chlorobenzyl) moiety, such as 33 and 40, shown an optimal balance of antiallergic and bronchodilator activity and are of particular interest. Compound 33 is significantly more potent than theophylline against both metacholine- and antigen-induced bronchospasms, does not affect spontaneous motor activity, and shows minimal cardiovascular effects in the rat.

  DOI：

  10.1021/jm00185a008
• 作为产物：
  描述：

  2-甲硫基-2-咪唑啉 、 邻氯苯甲胺 以 乙醇 为溶剂， 反应 2.0h， 生成 (2-chloro-benzyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
  参考文献：
  名称：

  Substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones

  摘要：

  The synthesis of a series of substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones is described. Several members of the series exhibit enhanced antiallergic and bronchodilator activity and reduced side effects as compared to theophylline. Structure-activity relationships and metabolic considerations are discussed for the series. Analogues substituted with a 4-(4-chlorobenzyl) moiety, such as 33 and 40, shown an optimal balance of antiallergic and bronchodilator activity and are of particular interest. Compound 33 is significantly more potent than theophylline against both metacholine- and antigen-induced bronchospasms, does not affect spontaneous motor activity, and shows minimal cardiovascular effects in the rat.

  DOI：

  10.1021/jm00185a008

文献信息

• METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS
  申请人：Fang Wenkui K.

  公开号：US20090306161A1

  公开（公告）日：2009-12-10

  Described herein are compounds for and methods of treating conditions or diseases in a subject by administering to the subject a pharmaceutical composition containing an effective amount of an α-adrenergic modulator. The compounds and methods are also useful for alleviating types of pain, both acute and chronic.

  本文描述了一种治疗受试者疾病或病症的化合物和方法，方法是通过向受试者施用含有有效量α-肾上腺素调节剂的药物组合物。这些化合物和方法还可用于缓解各种类型的疼痛，包括急性和慢性疼痛。
• [EN] 7-BENZYL-4-(2-METHYLBENZYL)-2,4,6,7,8,9-HEXAHYDROIMIDAZO [1,2-A]PYRIDO[3,4-E]PYRIMIDIN-5(1H)-ONE, ANALOGS AND SALTS THEREOF AND THEIR USE IN THERAPY<br/>[FR] 7-BENZYL-4-(2-MÉTHYLBENZYL)-2,4,6,7,8,9-HEXAHYDROIMIDAZO[1,2-A]PYRIDO[3,4-E]PYRIMIDIN-5(1H)-ONE, ANALOGUES ET SELS DE CE COMPOSÉ ET LEUR UTILISATION EN THÉRAPIE
  申请人：ONCOCEUTICS INC

  公开号：WO2016123571A1

  公开（公告）日：2016-08-04

  This disclosure relates to methods of treatment using compound (1) or analogs thereof, and pharmaceutically acceptable salts thereof. Also disclosed are compounds of formula (10): as defined in the specification, and pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions comprising the same. Methods of treatment, such as for cancer, are provided that comprise administering the compounds and their salts to a subject in need of such treatment.

  本公开涉及使用化合物（1）或其类似物以及其药用盐进行治疗的方法。还公开了公式（10）的化合物：如规范中定义的那样，以及其药用盐，以及包含相同化合物的药物组合物。提供了治疗方法，如用于癌症的治疗方法，包括向需要此类治疗的受试者施用这些化合物及其盐。
• 7-benzyl-4-(2-methylbenzyl)-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, Salts Thereof and Methods of Using the Same in Combination Therapy
  申请人：ONCOCEUTICS, INC.

  公开号：US20140335048A1

  公开（公告）日：2014-11-13

  This disclosure relates, at least in part, to a method of treatment. In one embodiment, the method of treatment comprises administering to a subject in need of such treatment a first therapeutic agent including compound (1): or a pharmaceutically acceptable salt thereof in combination with a second therapeutic agent, wherein the first therapeutic agent and the second therapeutic agent are administered either simultaneously or sequentially.

  本披露至少涉及一种治疗方法。在一种实施例中，该治疗方法包括向需要该治疗的受试者施用第一治疗剂，包括化合物（1）或其药学上可接受的盐，与第二治疗剂的组合，其中第一治疗剂和第二治疗剂同时或依次给予。
• 7-BENZYL-4-(METHYLBENZYL)-2,4,6,7,8,9-HEXAHYDROIMIDAZO[1,2-A]PYRIDO[3,4-E]PYRIMIDIN-5 (1H)-ONE, SALTS THEREOF AND METHODS OF USING THE SAME IN COMBINATION THERAPY
  申请人：ONCOCEUTICS, INC.

  公开号：US20160264574A1

  公开（公告）日：2016-09-15

  This disclosure relates, at least in part, to a method of treatment. In one embodiment, the method of treatment comprises administering to a subject in need of such treatment a first therapeutic agent including compound (1): (structurally represented) or a pharmaceutically acceptable salt thereof in combination with a second therapeutic agent, wherein the first therapeutic agent and the second therapeutic agent are administered either simultaneously or sequentially.

  本公开涉及至少部分治疗方法。在一种实施例中，该治疗方法包括给需要该治疗的受试者注射第一治疗剂，其中包括化合物（1）：（结构式），或其药学上可接受的盐，与第二治疗剂结合使用，第一治疗剂和第二治疗剂可以同时或顺序给予。
• [EN] USES AND METHODS FOR RECURRENT PRIMARY CNS NEOPLASMS<br/>[FR] UTILISATIONS ET MÉTHODES POUR DES NÉOPLASMES DU SNC PRIMAIRES RÉCURRENTS
  申请人：CHIMERIX INC

  公开号：WO2022241467A1

  公开（公告）日：2022-11-17

  This disclosure relates, at least in part, to a method of treatment. In one embodiment, the method of treatment comprises administering to a subject in need of such treatment at least a first therapeutic agent including ONC-206, 7-benzyl-4-(2,4-difluorobenzyl)-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, for the treatment of one or more CNS neoplasms.

  本公开涉及至少部分治疗方法。在一种实施例中，治疗方法包括向需要该治疗的受试者施用至少一种第一治疗剂，其中包括ONC-206，7-苄基-4-(2,4-二氟苯基)-2,4,6,7,8,9-六氢咪唑[1,2-a]吡啶[3,4-e]嘧啶-5(1H)-酮，用于治疗一个或多个中枢神经系统肿瘤。