2-benzyl-2,3-dimethyl-succinic acid | 736974-70-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-benzyl-2,3-dimethyl-succinic acid
• 英文别名: 2-Benzyl-2,3-dimethylbutanedioic acid
• CAS: 736974-70-2
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: PZKSXMLJTKRFLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-benzyl-2,3-dimethyl-succinic acid 在 盐酸 、 硫酸 作用下， 生成
  参考文献：
  名称：

  Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors

  摘要：

  Bridged-tricyclic cyanoguanidines 1 were found to be active as insecticides. The preparation and structure-activity relationships of oxacyclic (X=O) and carbocyclic (X=CH2) analogues of 1 is described. Compounds 1 were found to inhibit acetylcholinesterase with IC50 values comparable to the organophosphate Paraoxon. Unlike organophosphates. cyanoguanidines 1 were shown to reversibly bind acetylcholinesterase. This mode of action is shared by the structurally-related natural product Huperzine A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00326-1
• 作为产物：
  描述：

  2,3-dicyano-2,3-dimethyl-4-phenyl-butyric acid ethyl ester 生成 2-benzyl-2,3-dimethyl-succinic acid
  参考文献：
  名称：

  Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors

  摘要：

  Bridged-tricyclic cyanoguanidines 1 were found to be active as insecticides. The preparation and structure-activity relationships of oxacyclic (X=O) and carbocyclic (X=CH2) analogues of 1 is described. Compounds 1 were found to inhibit acetylcholinesterase with IC50 values comparable to the organophosphate Paraoxon. Unlike organophosphates. cyanoguanidines 1 were shown to reversibly bind acetylcholinesterase. This mode of action is shared by the structurally-related natural product Huperzine A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00326-1

文献信息

• [EN] SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE<br/>[FR] PETITES MOLECULES CONVENANT AU TRAITEMENT D'UNE MALADIE INFLAMMATOIRE
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS, INC.

  公开号：WO1998039303A1

  公开（公告）日：1998-09-11

  (EN) A method treating or preventing inflammatory and immune cell-mediated diseases by the administration of certain novel and known small molecules. Exemplary of the novel compounds are those of structural formulas (a), (b), (c), (d), (e) and (f).(FR) La présente invention concerne la thérapie et la prévention de maladies immunitaires à médiation cellulaire et inflammatoires par administration de certaines petites molécules nouvelles ou déjà connues. Les composés considérés sont représentés par les formules structurales (a), (b), (c), (d), (e) et (f).

  一种通过给予某些新型和已知的小分子来治疗或预防炎症和免疫细胞介导的疾病的方法。其中新化合物的示例是结构式(a)、(b)、(c)、(d)、(e)和(f)。
• SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP0966447A1

  公开（公告）日：1999-12-29
• US4698411A
  申请人：——

  公开号：US4698411A

  公开（公告）日：1987-10-06
• US6355664B1
  申请人：——

  公开号：US6355664B1

  公开（公告）日：2002-03-12
• USRE38132E1
  申请人：——

  公开号：USRE38132E1

  公开（公告）日：2003-06-03