5-溴苯并咪唑-2-甲醛 | 885280-26-2

• 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: 5-溴苯并咪唑-2-甲醛
• 中文别名: 6-溴-苯并咪唑-2-甲醛
• 英文名称: 5-bromo-benzoimidazol-2-methanaldehyde
• 英文别名: 6-Bromo-1H-benzoimidazole-2-carbaldehyde；6-bromo-1H-benzimidazole-2-carbaldehyde
• CAS: 885280-26-2
• 化学式: C₈H₅BrN₂O
• 分子量: 225.044
• InChiKey: YILYMJBPLFCXEB-UHFFFAOYSA-N

物化性质

• 沸点：
  418.2±37.0 °C(Predicted)
• 密度：
  1.830±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(6-氯-2-羟基-4-苯基-喹啉-3-基)-乙酮 、 5-溴苯并咪唑-2-甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 16.25h， 以60%的产率得到(E)-3-(3-(5-bromo-1H-benzo[d]imidazol-2-yl)acryloyl)-6-chloro-4-phenylquinolin-2(1H)-one
  参考文献：
  名称：

  Synthesis and SAR Studies of Dual AKT/NF-κB Inhibitors Against Melanoma

  摘要：

  The protein Kinase B alpha (AKT) and nuclear factor kappa‐light‐chain‐enhancer of activated B cells (NF‐κB) pathways are central regulators of cellular signaling events at the basis of tumor development and progression. Both pathways are often up‐regulated in different tumor types including melanoma. We recently reported the identification of compound 1 (BI‐69A11) as inhibitor of the AKT and the NF‐κB pathways. Here, we describe SAR studies that led to novel fluorinated derivatives with increased cellular potency, reflected in efficient inhibition of AKT and IKKs. Selected compounds demonstrated effective toxicity on melanoma, breast, and prostate cell lines. Finally, a representative derivative showed promising efficacy in an in vivo melanoma xenograft model.

  DOI：

  10.1111/cbdd.12177

文献信息

• CARBAMATE COMPOUND OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP2351749A1

  公开（公告）日：2011-08-03

  [Problems] A compound useful as an active ingredient for a pharmaceutical composition for treating FAAH-related diseases is provided. [Means for Solution] The present inventors have made extensive studies on compounds having an FAAH inhibitory activity, and as a result, have found that a piperazine-1-carboxylate compound, in which benzimidazol-2-ylcarbonyl, benzofuran-2-ylcarbonyl or the like binds to the 4-position of the piperazine, has an excellent FAAH inhibitory activity and further has an action to increase the effective bladder capacity, an action to ameliorate sleep disorders, an anti-diuretic action, and an analgesic activity on lower urinary tract pain including bladder pain and the like, thereby completed the present invention. The carbamate compound of the present invention has an excellent FAAH inhibitory activity and can be used as an agent for preventing and/or treating FAAH-related diseases, particularly nocturia, interstitial cystitis, painful bladder syndrome, or chronic non-bacterial prostatitis/chronic pelvic pain syndrome.

  提供了一种作为治疗FAAH相关疾病药物组合物的活性成分的化合物。现发明人对具有FAAH抑制活性的化合物进行了广泛研究，结果发现一种哌嗪-1-羧酸酯化合物，其中苯并咪唑-2-基甲酰基、苯并呋喃-2-基甲酰基或类似物结合到哌嗪的4位，具有出色的FAAH抑制活性，并且进一步具有增加有效膀胱容量、改善睡眠障碍、抗利尿作用以及对包括膀胱疼痛等下尿路疼痛的镇痛活性，从而完成了本发明。本发明的氨基甲酸酯化合物具有出色的FAAH抑制活性，可用作预防和/或治疗FAAH相关疾病的药剂，特别是夜尿症、间质性膀胱炎、疼痛性膀胱综合征或慢性非细菌性前列腺炎/慢性骨盆疼痛综合征。
• US5026816A
  申请人：——

  公开号：US5026816A

  公开（公告）日：1991-06-25
• US5169912A
  申请人：——

  公开号：US5169912A

  公开（公告）日：1992-12-08
• [EN] METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS
  申请人：KEEHAN, Donald, J.

  公开号：WO1990008168A1

  公开（公告）日：1990-07-26

  (EN) The present invention relates to a novel oxirane prepolymer comprising the catalyzed reaction product of an inorganic oxide having at least one hydrolyzable oxygen with a difunctional oxirane oligomer having at least one aromatic moiety and at least one oxirane containing aliphatic moiety, characterized in that substantially all of the hydrolyzable oxygen atoms in said oxide are bonded to said oligomer and there is substantially no bonding between oligomer moieties. The present invention also relates to a novel inorganic oxide containing polymer, said polymer comprising at least three crosslinked prepolymer moieties, each said prepolymer moiety being the reaction product of an inorganic oxide having at least one hydrolyzable oxygen with a difunctional oxirane oligomer having at least one aromatic moiety and at least one oxirane containing aliphatic moiety.(FR) Un nouveau prépolymère d'oxyrane comprend le produit de réaction catalysé d'un oxyde inorganique ayant au moins un oxygène hydrolysable avec un oligomère bifonctionnel d'oxyrane avec au moins une moitié aromatique et au moins une moitié aliphatique contenant de l'oxyrane. Ce prépolymère se caractérise par le fait qu'essentiellement tous les atomes d'oxygène hydrolysable dans ledit oxyde sont liés audit oligomère et qu'il n'existe essentiellement aucune liaison entre les moitiés oligomères. L'invention concerne également un nouveau polymère contenant un oxyde inorganique qui comprend au moins trois moitiés prépolymères réticulées dont chacune est le produit de réaction d'un oxyde inorganique avec au moins un oxygène hydrolysable et un oligomère bifonctionnel d'oxyrane ayant au moins une moitié aromatique et au moins une motié aliphatique contenant de l'oxyrane.