2-[1,3-苯并二氧戊环-5-基-(羧基甲硫基)甲基]硫基乙酸 | 34914-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 2-[1,3-苯并二氧戊环-5-基-(羧基甲硫基)甲基]硫基乙酸
• 英文名称: benzo[1,3]dioxol-5-ylmethanediylbissulfanyl-bis-acetic acid
• 英文别名: benzo[1,3]dioxol-5-yl-bis-carboxymethylsulfanyl-methane；Benzo[1,3]dioxol-5-yl-bis-carboxymethylmercapto-methan；α,α'-(piperonylidenedithio)diacetic acid；Acetic acid, 2,2'-(piperonylidenedithio)DI-；2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid
• CAS: 34914-27-7
• 化学式: C₁₂H₁₂O₆S₂
• 分子量: 316.356
• InChiKey: VNAYOZFFVJKRMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[1,3-苯并二氧戊环-5-基-(羧基甲硫基)甲基]硫基乙酸 在 sodium hydroxide 、 dipotassium peroxodisulfate 、 苯 作用下， 生成 2-benzo[1,3]dioxol-5-yl-[1,3]oxathiolan-5-one
  参考文献：
  名称：

  Holmberg, Arkiv foer Kemi, 1942, vol. 15A, # 22, p. 3,4

  摘要：

  DOI：
• 作为产物：
  描述：

  胡椒醛 、 巯基乙酸 在 盐酸 作用下， 生成 2-[1,3-苯并二氧戊环-5-基-(羧基甲硫基)甲基]硫基乙酸
  参考文献：
  名称：

  Mercaptocarboxylic Acids as Reagents for the Identification of Carbonyl Compounds

  摘要：

  DOI：

  10.1021/ja01142a007

文献信息

• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Muscarinic receptor antagonists
  申请人：Aggen James

  公开号：US20090306134A1

  公开（公告）日：2009-12-10

  Disclosed are multibinding compounds which are muscarinic receptor antagonists. The multibinding compounds of this invention containing from 2 to 10 ligands covalently attached to one or more linkers. Each ligand is, independently of each other, a muscarinic receptor antagonist or an allosteric modulator provided that at least one of said ligand is a muscarinic receptor antagonist. The multibinding compounds of this invention are useful in the treatment and prevention of diseases such as chronic obstructive pulmonary disease, chronic bronchitis, irritable bowel syndrome, urinary incontinence, and the like.

  本发明涉及一种多结合化合物，其为肌动蛋白受体拮抗剂。该发明的多结合化合物包含2至10个配体共价连接到一个或多个连接体上。每个配体是独立的，可以是肌动蛋白受体拮抗剂或变构调节剂，但至少其中一个配体是肌动蛋白受体拮抗剂。本发明的多结合化合物在治疗和预防慢性阻塞性肺疾病、慢性支气管炎、肠易激综合征、尿失禁等疾病方面具有用途。
• Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent
  申请人：——

  公开号：US20040037856A1

  公开（公告）日：2004-02-26

  The invention concerns the use for topical application of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent and a cosmetic treatment method to obtain protection of the organism against pollution effects.

  本发明涉及将含有硫醚、亚砜或砜官能团的化合物用作化妆品抗污染剂的局部应用，以及保护生物体免受污染影响的化妆品处理方法。