2-[(二苯基甲基)磺酰基]乙酸 | 101094-05-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(二苯基甲基)磺酰基]乙酸
• 英文名称: ((diphenylmethyl)sulfonyl)acetic acid
• 英文别名: 2-[(diphenylmethyl)sulfonyl]acetic acid；Diphenylmethyl-sulfonylessigsaeure；2-Benzhydrylsulfonylacetic acid
• CAS: 101094-05-7
• 化学式: C₁₅H₁₄O₄S
• 分子量: 290.34
• InChiKey: XTXZDQKYJIHOMB-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：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(二苯基甲基)磺酰基]乙酸 在 溴 、 potassium bromide 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 (((dibromomethyl)sulfonyl)methylene)dibenzene
  参考文献：
  名称：

  Reaction of bases with benzyl dibromomethyl sulfone and with benzhydryl dihalomethyl sulfone

  摘要：

  DOI：

  10.1021/jo01269a070
• 作为产物：
  描述：

  2-苯甲硫基乙酸 在 双氧水 、 溶剂黄146 作用下， 以54%的产率得到2-[(二苯基甲基)磺酰基]乙酸
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 1-acyl-4-((2-methyl-3-pyridyl)cyanomethyl)piperazines as PAF antagonists

  摘要：

  A second generation of (cyanomethyl)piperazines, 1-acyl-4-((2-methyl-3-pyridyl)cyanomethyl)-piperazines, with increased oral activity was prepared and evaluated in vitro in a PAF-induced platelet aggregation assay (PAG) and in vivo in a PAF-induced hypotension test in normotensive rats (HYP). Oral activity was ascertained through a PAF-induced mortality test in mice (MOR). Attachment of a methyl group at position 2 of our earlier pyridine derivatives resulted in an improvement of 1 order of magnitude or greater in the ID50 of the oral test. Three different types of acyl substituents of similar potency emerge from this work: N-(diphenylmethylamino)acetyl, 3-substituted 3-hydroxy-3-phenylpropionyl, and N-substituted 3-amino-3-phenylpropionyl groups. The most interesting compounds, 26 (UR-12460, PAG IC50 = 0.040 muM, HYP, ID50 = 0.021 mg/kg iv, MOR, ID50 = 0.30 mg/kg po) and 58 (UR- 12519, PAG IC50 = 0.041 muM, HYP, ID50 = 0.015 mg/kg iv, MOR, ID50 = 0.044 mg/kg po), compare favorably with WEB-2086. Compounds 26 and 58 were also tested in active anaphylactic shock (AAS) and endotoxin-induced mortality (EIM) tests. On the basis of these data, compounds 26 and 58 have been selected for further pharmacological development.

  DOI：

  10.1021/jm00072a019

文献信息

• [EN] MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF<br/>[FR] ANTAGONISTES DU RECEPTEUR MCP-1 ET LEUR PROCEDE D'UTILISATION
  申请人：WARNER LAMBERT CO

  公开号：WO2004014847A1

  公开（公告）日：2004-02-19

  The present invention relates to sulfones that are useful in the treatment of chemokine-mediated disorders. In certain embodiments, the present invention concerns the compounds that are MCP-1 receptor antagonists.

  本发明涉及对化学介导的疾病治疗中有用的砜类化合物。在某些实施例中，本发明涉及作为MCP-1受体拮抗剂的化合物。
• Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group
  申请人：DINAMITE DIPHARMA S.P.A. abbreviated DIPHARMA S.P.A.

  公开号：US20040192929A1

  公开（公告）日：2004-09-30

  A process for the oxidation of thioethers to sulfoxides or sulfones or for the oxidation of sulfoxides to sulfones by treatment of thioethers or sulfoxides with an oxidizing amount of &egr;-phthalimidoperhexanoic acid is particularly useful for the preparation of compounds of industrial interest, in particular pharmaceuticals for human or veterinary use.

  一种将硫醚氧化为亚砜或砜，或将亚砜氧化为砜的过程，通过用适量的ε-邻苯二甲酰亚丙基己酸处理硫醚或亚砜，特别适用于制备工业感兴趣的化合物，特别是用于人类或兽医用途的药物。
• (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0528172A1

  公开（公告）日：1993-02-24

  The present invention relates to new (2-alkyl-3-pyridyl)methylpiperazine derivatives of general formula I: wherein R¹, R² and Z are as defined in Claim 1. The invention also relates to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent, orally active PAF antagonists and, consequently, they are useful in the treatment of the diseases in which this substance is involved.

  本发明涉及一般式I的新(2-烷基-3-吡啶基)甲基哌嗪衍生物，其中R¹，R²和Z如权利要求1所定义。该发明还涉及它们的制备方法以及含有它们的药物组合物。这些化合物是有效的口服PAF拮抗剂，因此它们在治疗涉及该物质的疾病中很有用。
• MCP-1 receptor antagonists and methods of use thereof
  申请人：Bratton D. Larry

  公开号：US20050171163A1

  公开（公告）日：2005-08-04

  The present invention relates to sulfones that are useful in the treatment of chemokine-mediated disorders. In certain embodiments, the present invention concerns the compounds that are MCP-1 receptor antagonists.

  本发明涉及用于治疗趋化因子介导的疾病的磺酮。在某些实施例中，本发明涉及MCP-1受体拮抗剂化合物。
• Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid
  申请人：Dipharma Francis S.r.l.

  公开号：EP1466897B1

  公开（公告）日：2008-12-17