p-mercaptomethylbenzophenone | 196491-94-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: p-mercaptomethylbenzophenone
• 英文别名: Phenyl[4-(sulfanylmethyl)phenyl]methanone；phenyl-[4-(sulfanylmethyl)phenyl]methanone
• CAS: 196491-94-8
• 化学式: C₁₄H₁₂OS
• 分子量: 228.315
• InChiKey: JXUDPCQVJSFZNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-mercaptomethylbenzophenone 、 2,2'-二硫双(5-硝基吡啶) 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以248 mg的产率得到2-(4-benzoyl-benzyldisulfanyl)-5-nitropyridine
  参考文献：
  名称：

  Structure−Activity Relationships in the Binding of Chemically Derivatized CD4 to gp120 from Human Immunodeficiency Virus

  摘要：

  The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp 120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp 120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp 120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.

  DOI：

  10.1021/jm070564e
• 作为产物：
  描述：

  S-(4-benzoylbenzyl)isothiourea hydrobromide 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 p-mercaptomethylbenzophenone
  参考文献：
  名称：

  Structure−Activity Relationships in the Binding of Chemically Derivatized CD4 to gp120 from Human Immunodeficiency Virus

  摘要：

  The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp 120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp 120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp 120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.

  DOI：

  10.1021/jm070564e

文献信息

• NOVEL PHOTOINITIATORS
  申请人：Madsen Niels Joergen

  公开号：US20130296577A1

  公开（公告）日：2013-11-07

  Novel photoinitiators provide for polyurethane formation, in which a photoinitiator moiety and a tertiary amine are incorporated into the photoinitiator structure, and thus the polyurethane polymer.

  新型光引发剂可用于聚氨酯的形成，其中光引发剂基团和三级胺被并入光引发剂结构，从而形成聚氨酯聚合物。
• Method for producing adhesive polyacrylates using mercapto functional photoinitiators
  申请人：——

  公开号：US20040049972A1

  公开（公告）日：2004-03-18

  A process for preparing pressure-sensitively adhesive polyacrylates by free-radical addition polymerization, characterized in that mercapto-functionalized photoinitiators of the general formula (I) and/or (II). H—S—R   (I) R—S—S—R′  (II) are added to the monomer mixture or to the reaction mixture, R and R′ being chosen independently of one another from the following groups: a) benzophenone, acetophenone, benzil, benzoin, hydroxyalkylphenone, phenylcyclohexyl ketone, anthraquinone, thioxanthone, triazine, or fluorenone radicals, it being possible for each of these radicals to be substituted by one or more halogen atoms and/or one or more alkoxy groups and/or one or more amino groups or hydroxyl groups, b) radicals which comprise one or more of the substituted or unsubstituted radicals specified under a).

  一种通过自由基加成聚合制备压敏粘合剂聚丙烯酸酯的方法，其特征在于向单体混合物或反应混合物中添加通式（I）和/或（II）的巯基功能化光引发剂。其中R和R'分别独立地选择以下基团：a）苯基酮，乙酰苯，苯并二酮，苯并酚，羟基烷基苯酮，苯基环己基酮，蒽醌，噻吩酮，三嗪或芴酮基团，每个基团都可以被一个或多个卤素原子和/或一个或多个烷氧基团和/或一个或多个氨基或羟基团取代，b）包括在a）中指定的一个或多个取代或未取代基团的基团。
• PHOTOACTIVATABLE CHAIN TRANSFER AGENTS
  申请人：SurModics, Inc.

  公开号：EP0888389A1

  公开（公告）日：1999-01-07
• EP0888389A4
  申请人：——

  公开号：EP0888389A4

  公开（公告）日：2001-03-14
• VERFAHREN ZUR HERSTELLUNG HAFTKLEBRIGER POLYACRYLATE UNTER VERWENDUNG MERCAPTOFUNKTIONALISIERTER PHOTOINITIATOREN
  申请人：tesa AG

  公开号：EP1311554B1

  公开（公告）日：2004-11-03