3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | 115846-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• 英文别名: CPPI
• CAS: 115846-66-7
• 化学式: C₁₂H₁₁ClN₂
• mdl: MFCD02705319
• 分子量: 218.686
• InChiKey: UROAGBRHXNLTPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-氯-N-(4-苯氧基苯基)乙酰胺 、 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole 以 乙酸乙酯 为溶剂， 反应 2.0h， 以77%的产率得到3-(4-chlorophenyl)-1-[(4-phenoxyphenylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
  参考文献：
  名称：

  新型 3-Aryl-5H-pyrrolo[1,2-a] 咪唑和 5H-Imidazo[1,2-a]azepine 季盐的合成、抗菌和抗真菌活性

  摘要：

  一系列的新的3-芳基-5- ħ -吡咯并[1,2-一个]咪唑和5 ħ -咪唑并[1,2一]氮杂在58-85％的收率通过3-芳基的反应，合成季盐-6, 7-二氢-5 H -吡咯并[1,2- a ]咪唑或3-芳基-6,7,8,9-四氢-5 H -咪唑并[1,2- a ]氮杂和各种烷基化试剂. 所有化合物均通过1 H NMR、13C NMR和LC-MS。对新季盐衍生物的体外抗菌活性进行的筛选研究表明，18 种新合成化合物中有 15 种显示出抗菌和抗真菌活性。合成3-（3,4- dichlorohenyl）-1 - [（4- phenoxyphenylcarbamoyl） -甲基] -6,7-二氢-5- ħ -吡咯并[1,2-一个]咪唑-1-鎓氯化物6C具有较宽的对金黄色葡萄球菌、大肠杆菌、肺炎克雷伯菌、鲍曼不动杆菌和新型隐球菌的活性谱，对人红细胞具有高溶血活性，对HEK-293具有细胞毒性. 然

  DOI：

  10.3390/molecules26144253

文献信息

• Small molecules targeting androgen receptor nuclear localization and/or level in prostate cancer
  申请人：University of Pittsburgh-Of the Commonwealth System of Higher Education

  公开号：US10004730B2

  公开（公告）日：2018-06-26

  A method for treating prostate cancer in a subject, comprising administering a therapeutically effective amount of at least one agent to the subject, wherein the agent is selected from: (a) a phenyl-substituted imidazole, or a pharmaceutically acceptable salt or ester thereof; or (b) a compound, or a pharmaceutically acceptable salt or ester thereof, having a formula I of:  wherein R20 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group; R21 is an alkanediyl or a substituted alkanediyl; a is 0 or 1; c is 0 or 1; X is C or S; R22 is a moiety that includes at least one divalent amino radical; and R23 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group.

  一种治疗受试者前列腺癌的方法，包括向受试者施用治疗有效量的至少一种制剂，其中所述制剂选自以下物质 (a) 苯基取代咪唑，或其药学上可接受的盐或酯；或 (b) 具有式 I 的化合物或其药学上可接受的盐或酯： 其中 R20 是芳基、取代的芳基、杂芳基、取代的杂芳基、杂环烷基、取代的杂环烷基、烷氧基、芳氧基、含硅基的基团、含硼酸基的基团、含膦基的基团、氨基、含硫基的基团、含硒基的基团、卤化物或含硝基的基团； R21 是烷二基或取代的烷二基； a 是 0 或 1 c 是 0 或 1； X 是 C 或 S； R22 是包括至少一个二价氨基的分子；和 R23 是芳基、取代的芳基、杂芳基、取代的杂芳基、杂环烷基、取代的杂环烷基、烷氧基、芳氧基、含硅烷基的基团、含硼酸基的基团、含膦基的基团、氨基、含硫代基的基团、含硒代基的基团、卤化物或含硝基的基团。
• 2a,4a-Diazacyclopenta[c,d]Azulenes
  作者：V. A. Kovtanenko、K. G. Nazarenko、A. M. Demchenko

  DOI：10.1007/bf01176968

  日期：1996.8
• SMALL MOLECULES TARGETING ANDROGEN RECEPTOR NUCLEAR LOCALIZATION AND/OR LEVEL IN PROSTATE CANCER
  申请人：University of Pittsburgh - Of the Commonweath System of Higher Education

  公开号：US20140371235A1

  公开（公告）日：2014-12-18

  A method for treating prostate cancer in a subject, comprising administering a therapeutically effective amount of at least one agent to the subject, wherein the agent is selected from: (a) a phenyl-substituted imidazole, or a pharmaceutically acceptable salt or ester thereof; or (b) a compound, or a pharmaceutically acceptable salt or ester thereof, having a formula I of: wherein R 20 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group; R 21 is an alkanediyl or a substituted alkanediyl; a is 0 or 1; c is 0 or 1; X is C or S; R 22 is a moiety that includes at least one divalent amino radical; and R 23 is an aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocycloalkyl, substituted heterocycloalkyl, alkoxy, aryloxy, a silyl-containing group, a boryl-containing group, a phosphine-containing group, amino, a thio-containing group, a seleno-containing group, halide, or a nitro-containing group.
• US9708276B2
  申请人：——

  公开号：US9708276B2

  公开（公告）日：2017-07-18
• US9981974B2
  申请人：——

  公开号：US9981974B2

  公开（公告）日：2018-05-29