(9ci)-5-(1,1-二甲基乙基)-1H-咪唑-4-羧酸 | 714273-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (9ci)-5-(1,1-二甲基乙基)-1H-咪唑-4-羧酸
• 英文名称: 5-tert-butyl-3H-imidazole-4-carboxylic acid
• 英文别名: 5-tert-butyl-1H-imidazole-4-carboxylic acid
• CAS: 714273-88-8
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: CHZBPWFTYFOPMN-UHFFFAOYSA-N

物化性质

• 沸点：
  390.0±30.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090
• 储存条件：
  2-8°C

反应信息

• 作为产物：
  描述：

  特戊酰基乙酸乙酯 在 磺酰氯 作用下， 以 氯仿 、 水 为溶剂， 反应 6.5h， 生成 5-叔丁基-1,3-恶唑-4-羧酸乙酯 、 (9ci)-5-(1,1-二甲基乙基)-1H-咪唑-4-羧酸
  参考文献：
  名称：

  ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE

  摘要：

  由以下结构（II）表示的化合物已被披露：制备这种化合物的方法也已被披露。还披露了用于治疗各种疾病条件的组合物和方法，包括与血管增殖相关的癌症和非癌症疾病。

  公开号：

  US20080221122A1

文献信息

• [EN] ANALOGS OF DEHYDROPHENYLAHISTINS<br/>[FR] ANALOGUES DE DÉSHYDROPHÉNYLAHISTINES
  申请人：NEREUS PHARMACEUTICALS INC

  公开号：WO2011084962A1

  公开（公告）日：2011-07-14

  Analogs of dehydrophenylahistins are disclosed as are methods for making such compounds. Compositions and methods for treating various disease conditions including cancer and non-cancer diseases associated with vascular proliferation are also disclosed.

  揭示了脱氢苯酚组合物的类似物，以及制备这类化合物的方法。还揭示了用于治疗包括癌症和与血管增殖有关的非癌症疾病等各种疾病状况的组合物和方法。
• Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof
  申请人：Palladino A. Michael

  公开号：US20050197344A1

  公开（公告）日：2005-09-08

  Compounds represented by the following structure (I) are disclosed: as are methods for making such compounds, wherein said methods comprise reacting a diacyldiketopiperazine with a first aldehyde to produce an intermediate compound; and reacting the intermediate compound with a second aldehyde to produce the class of compounds with the generic structure, where the first aldehyde and the second aldehydes are selected from the group consisting of an oxazolecarboxaldeyhyde, imidazolecarboxaldehyde, a benzaldehyde, imidazolecarboxaldehyde derivatives, and benzaldehyde derivatives, thereby forming the above compound wherein R 1 , R 1 ′, R 1 ″, R 2 , R 3 , R 4 , R 5 , and R 6 , X 1 and X 2 , Y, Z, Z 1 , Z 2 , Z 3 , and Z 4 may each be separately defined in a manner consistent with the accompanying description. Compositions and methods for treating vascular proliferation are also disclosed.

  公开了以下结构（I）代表的化合物：制备这种化合物的方法也被公开，其中所述方法包括将二酰基二酮哌嗪与第一醛反应以产生中间化合物；然后将中间化合物与第二醛反应，以产生具有通用结构的化合物类，其中第一醛和第二醛选自氧唑羧醛，咪唑羧醛，苯甲醛，咪唑羧醛衍生物和苯甲醛衍生物组成的群体，从而形成上述化合物，其中R1、R1'、R1''、R2、R3、R4、R5和R6，X1和X2，Y，Z，Z1，Z2，Z3和Z4可以分别根据附带说明书中的描述进行定义。还公开了用于治疗血管增殖的组合物和方法。
• [EN] DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF<br/>[FR] DESHYDROPHENYLAHISTINES ET ANALOGUES DE CEUX-CI ET SYNTHESE DE CES DESHYDROPHENYLAHISTINES ET D'ANALOGUES DE CEUX-CI
  申请人：NEREUS PHARMACEUTICALS INC

  公开号：WO2004054498A2

  公开（公告）日：2004-07-01

  Compounds represented by structure (I) are disclosed, as are methods for making such compounds, wherein said methods comprise reacting a diacyldiketopiperazine with a first aldehyde to produce an intermediate compound; and reacting the intermediate compound with a second aldehyde to produce the class of compounds with the generic structure, where the first aldehyde and the second aldehydes are selected from the group consisting of an oxazolecarboxaldeyhyde, imidazolecarboxaldehyde, a benzaldehyde, imidazolecarboxaldehyde derivatives, and benzaldehyde derivatives, thereby forming the above compound wherein R1, R1', R1'', R2, R3, R4, R5, and R6, X1 and X2, Y, Z, Z1, Z2, Z3, and Z4 may each be separately defined in a manner consistent with the accompanying description. Compositions and methods for treating cancer and fungal infection are also disclosed.

  本发明揭示了结构（I）所代表的化合物，以及制备此类化合物的方法，其中所述方法包括将双酰基二酮哌嗪与第一醛反应以产生中间化合物；并将中间化合物与第二醛反应以产生具有通用结构的化合物类别，其中第一醛和第二醛选自羧醛噁唑，咪唑羧醛，苯甲醛，咪唑羧醛衍生物和苯甲醛衍生物的群体，从而形成上述化合物，其中R1，R1'，R1''，R2，R3，R4，R5和R6，X1和X2，Y，Z，Z1，Z2，Z3和Z4可以分别按照所附说明书的方式定义。本发明还揭示了用于治疗癌症和真菌感染的组合物和方法。
• Analogs of dehydrophenylahistins and their therapeutic use
  申请人：Palladino Michael

  公开号：US20070078138A1

  公开（公告）日：2007-04-05

  Compounds represented by the following structure (II) are disclosed: as are methods for making such compounds. Compositions and methods for treating various disease conditions including cancer and non-cancer diseases associated with vascular proliferation are also disclosed.

  本文揭示了由以下结构（II）所代表的化合物，以及制造这种化合物的方法。此外，还揭示了用于治疗各种疾病状况的组合物和方法，包括与血管增殖有关的癌症和非癌症疾病。
• ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE
  申请人：Palladino Michael

  公开号：US20120277251A1

  公开（公告）日：2012-11-01

  Compounds represented by the following structure (II) are disclosed: as are methods for making such compounds. Compositions and methods for treating various disease conditions including cancer and non-cancer diseases associated with vascular proliferation are also disclosed.

  本文披露了以下结构（II）所代表的化合物，以及制备这些化合物的方法。此外，还披露了用于治疗各种疾病状况的组合物和方法，包括与血管增生相关的癌症和非癌性疾病。