4-(1H-benzoimidazol-2-yl)benzenesulfonic acid | 50343-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(1H-benzoimidazol-2-yl)benzenesulfonic acid
• 英文别名: 4-(1h-Benzimidazol-2-yl)benzenesulfonic acid
• CAS: 50343-57-2
• 化学式: C₁₃H₁₀N₂O₃S
• 分子量: 274.3
• InChiKey: YCOWPNNXNAKMLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  烟酰氯 、 4-(1H-benzoimidazol-2-yl)benzenesulfonic acid 以 乙醚 为溶剂， 反应 24.0h， 以44%的产率得到4-[1-(Pyridine-3-carbonyl)benzimidazol-2-yl]benzenesulfonic acid
  参考文献：
  名称：

  4-[1-(Substituted aryl/alkyl carbonyl)-benzoimidazol-2-yl]-benzenesulfonic acids: Synthesis, antimicrobial activity, QSAR studies, and antiviral evaluation

  摘要：

  A series of 4-[1-(substituted aryl/alkyl carbonyl)-benzoimidazol-2-yl]-benzene sulphonic acids (1-20) was synthesized and evaluated, in vitro, for their antimicrobial activity and the results indicated that compounds 4-[1-(4-Nitrobenzoyl)-1H-benzoimidazol-2-yl]-benzenesulfonic acid (9) and 4-(1-octadec-9-enoyl-1H-benzoimidazol-2-yl)-benzenesulfonic acid (18) were found to be the most active ones. QSAR investigations indicated that the multi-target QSAR model was effective in describing the antimicrobial activity over the one-target QSAR models. Further the mt-QSAR model indicated the importance of the topological parameter, Balaban index (J) followed by the electronic parameter. LUMO and topological parameter, valence second order molecular connectivity index ((2)chi(v)) in describing the antimicrobial activity of synthesized compounds (1-20). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.09.065
• 作为产物：
  描述：

  苯并咪唑 、 对氨基苯磺酸 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 水 为溶剂， 生成 4-(1H-benzoimidazol-2-yl)benzenesulfonic acid
  参考文献：
  名称：

  4-[1-(Substituted aryl/alkyl carbonyl)-benzoimidazol-2-yl]-benzenesulfonic acids: Synthesis, antimicrobial activity, QSAR studies, and antiviral evaluation

  摘要：

  A series of 4-[1-(substituted aryl/alkyl carbonyl)-benzoimidazol-2-yl]-benzene sulphonic acids (1-20) was synthesized and evaluated, in vitro, for their antimicrobial activity and the results indicated that compounds 4-[1-(4-Nitrobenzoyl)-1H-benzoimidazol-2-yl]-benzenesulfonic acid (9) and 4-(1-octadec-9-enoyl-1H-benzoimidazol-2-yl)-benzenesulfonic acid (18) were found to be the most active ones. QSAR investigations indicated that the multi-target QSAR model was effective in describing the antimicrobial activity over the one-target QSAR models. Further the mt-QSAR model indicated the importance of the topological parameter, Balaban index (J) followed by the electronic parameter. LUMO and topological parameter, valence second order molecular connectivity index ((2)chi(v)) in describing the antimicrobial activity of synthesized compounds (1-20). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.09.065

文献信息

• Methods and apparatus for accelerated orthokeratology
  申请人：——

  公开号：US20010016731A1

  公开（公告）日：2001-08-23

  An accelerated method of orthokeratology includes the steps of softening of the cornea with a softening agent, applying a mold to reshape the cornea to a desired anterior curvature, and rapidly restabilizing or “fixing” the corneal tissues so that the cornea retains its new configuration. A chemical softening agent, such as glutaric anhydride is applied to the cornea to soften the cornea, after which a specially designed mold of predetermined curvature and configuration is applied to the cornea. Slight downward pressure is applied to the mold for a predetermined period of time to re-shape the cornea. The mold is maintained in position while a stabilizing agent, such as a UV light source, is positioned above the mold. The stabilizing agent, i.e. UV light, is applied to the cornea for a predetermined time, wherein the stabilizing agent immediately restabilizes the corneal tissue so that the cornea immediately retains its shape upon removal of the mold. The stabilization process can also be used for patients having already undergone traditional orthokeratology to eliminate the need to continue wearing a retainer to maintain the shape of the cornea.

  角膜矫形术的加速方法包括以下步骤：用软化剂软化角膜，使用模具将角膜重塑成所需的前弧度，并迅速重新稳定或 "固定 "角膜组织，使角膜保持新的形态。在角膜上涂抹化学软化剂（如戊二酸酐）以软化角膜，然后在角膜上涂抹专门设计的具有预定弧度和结构的模具。在预定时间内对模具施加轻微的向下压力，以重新塑形角膜。将稳定剂（如紫外线光源）置于模具上方时，模具将保持在原位。将稳定剂（即紫外线）照射到角膜上，持续预定的时间，其中稳定剂会立即重新稳定角膜组织，使角膜在移除模具后立即保持其形状。稳定过程也可用于已接受传统角膜矫形术的患者，使其无需继续佩戴保持器来保持角膜的形状。
• METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY
  申请人：Ista Pharmaceuticals, Inc.

  公开号：EP1051655A1

  公开（公告）日：2000-11-15
• EP1051655A4
  申请人：——

  公开号：EP1051655A4

  公开（公告）日：2003-03-19
• US6161544A
  申请人：——

  公开号：US6161544A

  公开（公告）日：2000-12-19
• [EN] METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY<br/>[FR] METHODES ET APPAREIL D'ORTHOKERATOLOGIE ACCELEREE
  申请人：KERATOFORM, INC.

  公开号：WO1999039238A1

  公开（公告）日：1999-08-05

  (EN) An accelerated method of orthokeratology includes the steps of softening of the cornea (10) with a softening agent, applying a mold (36) to reshape the cornea (10) to a desired anterior curvature, and rapidly restabilizing or 'fixing' the corneal tissues so that the cornea retains its new configuration. A chemical softening agent, such as glutaric anhydride is applied to the cornea (10) to soften the cornea, after which a specially designed mold (36) of predetermined curvature and configuration is applied to the cornea. Pressure is applied to the mold to re-shape the cornea. The mold (36) is maintained in position while a stabilizing agent, such as a UV light source (96), is positioned above the mold (36). The stabilizing agent, i.e. UV light, is applied to the cornea (10) wherein the stabilizing agent immediately restabilizes the corneal tissue so that the cornea retains its shape upon removal of the mold (36).(FR) L'invention concerne une méthode accélérée d'orthokératologie dont les diverses étapes consistent: à amollir la cornée (10) à l'aide d'un agent amollissant, à appliquer un moule (36) pour redonner à la cornée (10) une courbure antérieure voulue, et à rapidement restabiliser ou 'fixer' les tissus cornéens de manière que la cornée conserve sa nouvelle configuration. Un agent amollissant chimique, tel que l'anhydride glutarique, est appliqué sur la cornée (10) afin de l'amollir, puis un moule (36) spécialement conçu présentant une courbure et une configuration prédéterminées est appliqué sur la cornée. On applique une pression sur le moule pour reprofiler la cornée. Le moule (36) est maintenu en place, tandis qu'un agent stabilisant, tel qu'une source (96) de rayons ultraviolets, est positionné au-dessus du moule (36). L'agent stabilisant, c'est-à-dire le rayonnement ultraviolet, est appliqué sur la cornée (10), ce qui permet à l'agent stabilisant de restabiliser immédiatement les tissus cornéens de manière que la cornée conserve sa forme lorsqu'on retire le moule (36).