2-乙基-4-硝基-1H-苯并咪唑 | 101236-92-4

• 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: 2-乙基-4-硝基-1H-苯并咪唑
• 英文名称: 8-ethyl-6-nitro-1,3-dideazaadenine
• 英文别名: 2-ethyl-4-nitro-1(3)H-benzoimidazole；2-ethyl-4-nitro-1(3)H-benzimidazole；2-Aethyl-4-nitro-1(3)H-benzimidazol；2-Aethyl-4-Nitrobenzimidazol；2-ethyl-4-nitro-1H-benzo[d]imidazole；2-ethyl-4-nitro-1H-benzimidazole
• CAS: 101236-92-4
• 化学式: C₉H₉N₃O₂
• mdl: MFCD18807600
• 分子量: 191.189
• InChiKey: RBMSXLGNJDFTIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-乙酰氧基-2,3,5-三苯甲酰氧基-1-beta-D-呋喃核糖 、 2-乙基-4-硝基-1H-苯并咪唑 在 trichloromethyl silane 、 六甲基二硅氮烷 、 四氯化锡 、 ammonium hydroxide 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 9-(1'-β-D-ribofuranosyl)-8-ethyl-6-nitro-1,3-dideazaadenine
  参考文献：
  名称：

  Synthesis and antimicrobial activity of some novel nucleoside analogues of adenosine and 1,3-dideazaadenosine

  摘要：

  A number of nucleoside analogues have been synthesized and evaluated for their antibacterial and antifungal activities against Staphylococcus aureus, Group D Streptococcus, Pseudomonas aeruginosa, Proteus spp., Salmonella spp., Aspergillus fumigates, Penicillium marneffei, Candida albicans, Cryptococcus neoformans, and Mucor spp. The compounds 1, 4, and 6 emerged as potent antibacterial agents with MIC values of 0.75, 0.38, and 0.19 mu M, respectively, against group D Streptococcus. Further, the results suggest that the molecules 4, 6, and 7 would be potent antifungal agents as they show substantial degree of inhibition toward the growth of pathogenic fungi with MICs of 0.75, 0.38, and 0.38 mu M, respectively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.028
• 作为产物：
  描述：

  丙酸酐 、 3-硝基邻苯二胺 在 盐酸 作用下， 生成 2-乙基-4-硝基-1H-苯并咪唑
  参考文献：
  名称：

  Restriction of Tautomerism in the Amidine System by Hydrogen Bonding. The Case of 4(7)-Nitrobenzimidazole¹

  摘要：

  DOI：

  10.1021/ja01151a017

文献信息

• [EN] HINDERED DISULFIDE DRUG CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENTEUX À PONT DISULFURE ENCOMBRÉ
  申请人：GENENTECH INC

  公开号：WO2017064675A1

  公开（公告）日：2017-04-20

  The invention relates generally to disulfide drug conjugates wherein a linker comprising a sulfur-bearing carbon atom substituted with at least one hydrocarbyl or substituted hydrocarbyl is conjugated by a disulfide bond to a cysteine sulfur atom of a targeting carrier, and wherein the linker is further conjugated to a drug moiety. The invention further relates to activated linker-drug conjugates suitable for conjugation to a targeting carrier by a disulfide bond. The invention further relates to methods for preparing hindered disulfide drug conjugates.

  该发明一般涉及二硫键药物偶联物，其中含有至少一个被至少一个碳氢化合物或取代碳氢化合物所取代的含硫碳原子的连接剂通过二硫键与靶向载体的半胱氨酸硫原子偶联，并且连接剂进一步与药物部分偶联。该发明进一步涉及适合通过二硫键与靶向载体偶联的活化连接剂-药物偶联物。该发明还进一步涉及制备受阻二硫键药物偶联物的方法。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES<br/>[FR] DERIVES BENZIMIDAZOLIQUES, ET LEUR UTILISATION DANS LA PREVENTION ET LE TRAITEMENT DE MALADIES OSSEUSES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：WO1997010219A1

  公开（公告）日：1997-03-20

  (EN) The present invention relates to a new heterocyclic compound of formula (I), wherein R1 is acyl, lower alkenyl or lower alkyl optionally substituted with aryl, a heterocyclic group, etc., R2 is hydrogen, lower alkyl, hydroxy(lower)alkyl, halo(lower)alkyl, etc., R3 is hydrogen or halogen, R4 is a heterocyclic group or aryl, each of which may be substituted with suitable substituent(s), and A is (a) or (b), (wherein R9 and R10 are each hydrogen, lower alkyl or substituted lower alkyl), and pharmaceutically acceptable salts thereof which are the inhibitors of bone resorption and bone metabolism, to processes for preparation thereof, to a pharmaceutical composition comprising the same and to a method for the treatment of diseases caused by abnormal bone metabolism in human being or an animal.(FR) L'invention porte sur un composé hétérocyclique représenté par la formule (I) ci-après, où: R1 est acyle, alcényle inférieur ou alkyle inférieur facultativement substitué par aryle, un groupe hétérocyclique, etc.; R2 est hydrogène, alkyle inférieur, alkyle (inférieur) hydroxy, alkyle (inférieur) halo, etc.; R3 est hydrogène ou halogène; R4 est un groupe hétérocyclique ou aryle, chacun d'entre eux pouvant être facultativement substitué par un ou plusieurs substituants appropriés; et A est représenté par (a) ou (b) (où R9 et R10 sont chacun hydrogène, alkyle inférieur ou alkyle inférieur substitué). Cette invention concerne également: les sels pharmaceutiquement acceptables de ce composé qui sont inhibiteurs de résorption osseuse et du métabolisme osseux; les procédés permettant de réaliser la préparation de ce composé; une composition pharmaceutique comprenant ce composé; et une méthode de traitement des maladies causées par un métabolisme osseux anormal chez l'homme ou l'animal.

  本发明涉及一种新的杂环化合物，其化学式为(I)，其中R1为酰基、较低的烯基或较低的烷基，可选择地被芳基、杂环基等取代，R2为氢、较低的烷基、羟基(较低)烷基、卤代(较低)烷基等，R3为氢或卤素，R4为杂环基或芳基，每个基团可以被适当的取代基所取代，A为(a)或(b)，其中R9和R10分别为氢、较低的烷基或取代的较低烷基。本发明还涉及该化合物的药学上可接受盐，其为骨吸收和骨代谢的抑制剂，以及制备该化合物的方法、包含该化合物的制药组合物以及治疗人类或动物骨代谢异常引起的疾病的方法。
• BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0863881A1

  公开（公告）日：1998-09-16
• Restriction of Tautomerism in the Amidine System by Hydrogen Bonding. The Case of 4(7)-Nitrobenzimidazole¹
  作者：Joseph L. Rabinowitz、E. C. Wagner

  DOI：10.1021/ja01151a017

  日期：1951.7
• Synthesis and antimicrobial activity of some novel nucleoside analogues of adenosine and 1,3-dideazaadenosine
  作者：Richa Srivastava、Anudita Bhargava、Ramendra K. Singh

  DOI：10.1016/j.bmcl.2007.09.028

  日期：2007.11

  A number of nucleoside analogues have been synthesized and evaluated for their antibacterial and antifungal activities against Staphylococcus aureus, Group D Streptococcus, Pseudomonas aeruginosa, Proteus spp., Salmonella spp., Aspergillus fumigates, Penicillium marneffei, Candida albicans, Cryptococcus neoformans, and Mucor spp. The compounds 1, 4, and 6 emerged as potent antibacterial agents with MIC values of 0.75, 0.38, and 0.19 mu M, respectively, against group D Streptococcus. Further, the results suggest that the molecules 4, 6, and 7 would be potent antifungal agents as they show substantial degree of inhibition toward the growth of pathogenic fungi with MICs of 0.75, 0.38, and 0.38 mu M, respectively. (C) 2007 Elsevier Ltd. All rights reserved.