1-（4-氯苄基）-5,6-二甲基-1H-苯并咪唑 | 141472-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-（4-氯苄基）-5,6-二甲基-1H-苯并咪唑
• 英文名称: 1-(4-chlorobenzyl)-5,6-dimethylbenzimidazole
• 英文别名: 1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole；1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
• CAS: 141472-79-9
• 化学式: C₁₆H₁₅ClN₂
• mdl: MFCD01304890
• 分子量: 270.762
• InChiKey: AGMQHEBJQCVRFK-UHFFFAOYSA-N

物化性质

• 沸点：
  448.6±47.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.187
• 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：

  2,4,6-三甲基苯磺酰羟胺 、 1-（4-氯苄基）-5,6-二甲基-1H-苯并咪唑 以 二氯甲烷 为溶剂， 以72%的产率得到5,6-dimethyl-1-(4-chlorobenzyl)-3-aminobenzimidazolium mesitylenesulphonate
  参考文献：
  名称：

  Vlaovic, Djordje; Canadanovic-Brunet, Jasna; Balaz, Jelica, Bioscience, Biotechnology and Biochemistry, 1992, vol. 56, # 2.3.4., p. 199 - 206

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6-二甲基苯并咪唑 、 alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以61%的产率得到1-（4-氯苄基）-5,6-二甲基-1H-苯并咪唑
  参考文献：
  名称：

  Vlaovic, Djordje; Canadanovic-Brunet, Jasna; Balaz, Jelica, Bioscience, Biotechnology and Biochemistry, 1992, vol. 56, # 2.3.4., p. 199 - 206

  摘要：

  DOI：

文献信息

• Methods and compositions of treating a flaviviridae family viral infection
  申请人：Einav Shirit

  公开号：US20100028299A1

  公开（公告）日：2010-02-04

  Briefly described, embodiments of this disclosure include compounds, pharmaceutical compositions, methods of treating a host infected with a virus from the Flaviviridae family of viruses, methods of inhibiting HCV replication in a host, methods of inhibiting the binding of NS4B polypeptide to the 3′UTR of HCV negative strand RNA in a host, methods of treating liver fibrosis in a host, and the like.

  简要描述，本公开涉及的实施例包括化合物、制药组合物、治疗感染黄病毒科病毒的宿主的方法、抑制宿主中HCV复制的方法、抑制NS4B多肽与HCV负链RNA的3'UTR结合的方法、治疗宿主肝纤维化的方法等。
• SUBSTITUTED INDOLES, ANTIVIRAL ACTIVE COMPONENT, METHOD FOR PREPARATION AND USE THEREOF
  申请人：Ivachtchenko Alexandre Vasilievich

  公开号：US20130196991A1

  公开（公告）日：2013-08-01

  The invention relates to novel antiviral active components of the general formula 1, pharmaceutical composition, antiviral medicament, method for prophylaxis and treatment of viral diseases, particularly caused by hepatisis C viruses (HCV). In the general formula 1 R1 represents hydrogen, optionally substituted C 1 -C 4 alkyl, C 6 cycloalkyl, aryl, ethoxycarbonyl, nitro group; R2 represents hydrogen; R3 represents N-mono- or N,N-disubstituted 1-methylene-piperidine-3-carboxamide of the general formula 1a or N-mono- or N,N-disubstituted 1-methylene-piperidine-4-carboxamide of the general formula 1b; R4 represents hydrogen, optionally substituted C 1 -C 3 alkyl; or R2 and R3 together with the C-atoms they are attached to form substituted 2,3,4,9-tetrahydro-1H-carbazole of the general formula 1.1, or R2, R3, and R4 together with the atoms they are attached to form substituted azaheterocycles of the general formula 1.2; R5 and R6 optionally identical represent hydrogen, optionally substituted C 1 -C 3 alkyl or C 3 -C 6 cycloalkyl, or R5 and R6 together with the N-atom they are attached to form optionally substituted 5- or 6-membered azaheterocyclyl comprising one or two N-atoms and optionally condensed with benzene ring; R7 and R8 represent hydrogen or R7 and R8 together with the C-atom they are attached to form C═0 group; R9 represents azaheterocyclyl comprising at least one N-atom, unsubstituted formamide, or phenyl substituted with ethoxycarbonyl or nitro group; R10 represents hydrogen, optionally substituted C 1 -C 3 alkyl, substituted acetyl; n=1 or 2; solid line accompanied by the dotted line, i.e. ( ), represents single or double C—C bond.

  本发明涉及一般式1的新型抗病毒活性成分、制药组合物、抗病毒药物、预防和治疗病毒性疾病的方法，特别是由丙肝病毒（HCV）引起的疾病。在一般式1中，R1代表氢、可选择的取代C1-C4烷基、C6环烷基、芳基、乙氧羰基、硝基基团；R2代表氢；R3代表一般式1a的N-单取代或N,N-二取代的1-亚甲基哌啶-3-羧酰胺或一般式1b的N-单取代或N,N-二取代的1-亚甲基哌啶-4-羧酰胺；R4代表氢、可选择的取代C1-C3烷基；或者R2和R3与它们所连接的C原子一起形成一般式1.1的取代的2,3,4,9-四氢-1H-咔唑，或者R2、R3和R4与它们所连接的原子一起形成一般式1.2的取代的氮杂杂环；R5和R6可选择相同，代表氢、可选择的取代C1-C3烷基或C3-C6环烷基，或者R5和R6与它们所连接的N原子一起形成可选择取代的5-或6-成员的氮杂杂环，包括一个或两个N原子，并可选择与苯环并联；R7和R8代表氢或者R7和R8与它们所连接的C原子一起形成C═0基团；R9代表至少一个N原子的氮杂杂环，未取代的甲酰胺或乙氧羰基或硝基取代的苯基；R10代表氢、可选择的取代C1-C3烷基、取代的乙酰基；n=1或2；实线伴随点线，即（）表示单重或双重C-C键。
• SUBSTITUTED INDOLES, ANTIVIRAL ACTIVE COMPONENT, METHOD FOR PRODUCING AND USING SAME
  申请人：Alla Chem, LLC.

  公开号：EP2597097A1

  公开（公告）日：2013-05-29

  The invention relates to novel antiviral active components of the general formula 1, pharmaceutical composition, antiviral medicament, method for prophylaxis and treatment of viral diseases, particularly caused by hepatisis C viruses (HCV). In the general formula 1 R1 represents hydrogen, optionally substituted C1-C4 alkyl, C6 cycloalkyl, aryl, ethoxycarbonyl, nitro group; R2 represents hydrogen; R3 represents N-mono-or N,N-disubstituted 1-methylene-piperidine-3-carboxamide of the general formula 1a or N-mono- or N,N-disubstituted 1-methylene-piperidine-4-carboxamide of the general formula 1b; R4 represents hydrogen, optionally substituted C1-C3 alkyl; or R2 and R3 together with the C-atoms they are attached to form substituted ,3,4,9-tetrahydro-1H-carbazole of the general formula 1.1, or R2, R3, and R4 together with the atoms they are attached to form substituted azaheterocycles of the eneral formula 1.2; R5 and R6 optionally identical represent hydrogen, optionally substituted C1-C3 alkyl or C3-C6 cydoalkyl, or R5 and R6 together with the N-atom they are attached to form optionally substituted 5- or 6- membered azaheterocyclyl comprising one or two N-atoms and optionally condensed with benzene ring; R7 and R8 represent hydrogen or R7 and R8 together with the C-atom they are attached to form C=O group; R9 represents azaheterocyclyl comprising at least one N-atom, unsubstituted formamide, or phenyl substituted with ethoxycarbonyl or nitro group; R10 represents hydrogen, optionally substituted C1-C3 alkyl, substituted acetyl; n = 1 or 2; solid line accompanied by the dotted line, i.e. (), represents single or double C-C bond.

  本发明涉及通式 1 的新型抗病毒活性成分、药物组合物、抗病毒药物、预防和治疗病毒性疾病（尤其是由丙型肝炎病毒（HCV）引起的疾病）的方法。在通式 1 中 R1 代表氢、任选取代的 C1-C4 烷基、C6 环烷基、芳基、乙氧基羰基、硝基； R2 代表氢； R3 代表通式 1a 的 N-单-或 N,N-二取代的 1-亚甲基哌啶-3-甲酰胺或通式 1b 的 N-单-或 N,N-二取代的 1-亚甲基哌啶-4-甲酰胺；R4 代表氢、任选取代的 C1-C3 烷基；或 R2 和 R3 与它们所连接的 C 原子一起形成通式 1 的取代的 3，4，9-四氢-1H-咔唑。1，或 R2、R3 和 R4 与它们所连接的原子一起形成通式 1.2 的取代的杂杂环；R5 和 R6 可选择相同地代表氢、任选取代的 C1-C3 烷基或 C3-C6 环烷基，或 R5 和 R6 与它们所连接的 N 原子一起形成任选取代的包含一个或两个 N 原子并可选择与苯环缩合的 5 或 6 分子杂杂环； R7 和 R8 代表氢或 R7 和 R8 与它们连接的 C 原子一起形成 C=O 基团；R9 代表包含至少一个 N 原子的杂杂环基、未取代的甲酰胺或被乙氧基羰基或硝基取代的苯基；R10 代表氢、任选取代的 C1-C3 烷基、取代的乙酰基；n = 1 或 2；实线伴随虚线，即（），代表单或双 C-C 键。
• METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION
  申请人：Quake Stephen R.

  公开号：US20100260717A1

  公开（公告）日：2010-10-14

  Briefly described, embodiments of this disclosure include compositions, pharmaceutical compositions, methods of treating a host infected with a virus from the Flaviviridae family of viruses, methods of identifying a candidate agent for the treatment of hepatitis C virus (HCV) infection, and the like.
• METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION
  申请人：Einav Shirit

  公开号：US20110052536A1

  公开（公告）日：2011-03-03

  Briefly described, embodiments of this disclosure include compositions, pharmaceutical compositions, methods of treating a host infected with a virus from the Flaviviridae family of viruses, methods of treating HCV replication in a host, methods of inhibiting the binding of NS4B polypeptide to the 3′UTR of HCV negative strand RNA in a host, methods of treating liver fibrosis in a host, and the like.