4-(2-氧代-2-苯基乙基)苯甲酸 | 346623-13-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 4-(2-氧代-2-苯基乙基)苯甲酸
• 英文名称: α'-oxo-bibenzyl-4-carboxylic acid
• 英文别名: α'-Oxo-bibenzyl-4-carbonsaeure；4-Phenacyl-benzoesaeure；Deoxybenzoin-4'-carbonsaeure；4-(2-Oxo-2-phenylethyl)benzoic acid；4-phenacylbenzoic acid
• CAS: 346623-13-0
• 化学式: C₁₅H₁₂O₃
• 分子量: 240.258
• InChiKey: YVPSKWZULNRWJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-(2-氧代-2-苯基乙基)苯甲酸 在 盐酸 、 sodium ethanolate 作用下， 生成 4-(1-benzoyl-propyl)-benzoic acid
  参考文献：
  名称：

  Khan; Linnell, Journal of Pharmacy and Pharmacology, 1949, vol. 1, p. 230,233

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-苯基乙炔基)-4-(三氟甲基)苯 在 氢氧化钾 、 硫酸 、 mercury(II) sulfate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 4-(2-氧代-2-苯基乙基)苯甲酸
  参考文献：
  名称：

  Fialkov,Yu.A. et al., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, p. 2091 - 2095

  摘要：

  DOI：

文献信息

• Modified graphene, method of producing modified graphene, modified graphene-resin composite, modified graphene sheet, and modified graphene dispersion
  申请人：CANON KABUSHIKI KAISHA

  公开号：US11518889B2

  公开（公告）日：2022-12-06

  The modified graphene includes a structure represented by the following formula (I), wherein the modified graphene has a ratio (g/d) of an intensity “g” of a G band to an intensity “d” of a D band of 1.0 or more in a Raman spectroscopy spectrum thereof: Gr1-Ar1-X1-(Y1) n1 (I) in the formula (I), Gr1 represents a single-layer graphene or a multilayer graphene, Ar1 represents an arylene group having 6 to 18 carbon atoms, X1 represents a single bond, a linear, branched, or cyclic alkylene group having 1 to 20 carbon atoms, or a group obtained by substituting at least one carbon atom in a linear, branched, or cyclic alkylene group having 1 to 20 carbon atoms with at least one structure selected from the group consisting of —O—, —NH—, —CO—, —COO—, —CONH—, and an arylene group.

  改性石墨烯包括下式(I)所代表的结构，其中改性石墨烯在其拉曼光谱中的G波段强度 "g "与D波段强度 "d "之比(g/d)为1.0或以上： Gr1-Ar1-X1-(Y1) n1 (I) 在式 (I) 中，Gr1 代表单层石墨烯或多层石墨烯，Ar1 代表具有 6 至 18 个碳原子的芳烯基团，X1 代表单键、具有 1 至 20 个碳原子的直链、支链或环状亚烷基，或将具有 1 至 20 个碳原子的直链、支链或环状亚烷基中的至少一个碳原子用至少一种选自 -O-、-NH-、 -O-、-NH-、-CO-、-COO-、-CONH- 和芳烯基所组成的组中的至少一种结构。
• Discovery of Potent, Orally Bioavailable Phthalazinone Bradykinin B1 Receptor Antagonists
  作者：Kaustav Biswas、Tanya A. N. Peterkin、Marian C. Bryan、Leyla Arik、Sonya G. Lehto、Hong Sun、Feng-Yin Hsieh、Cen Xu、Robert T. Fremeau、Jennifer R. Allen

  DOI：10.1021/jm200808v

  日期：2011.10.27

  The bradykinin B1 receptor is rapidly induced upon tissue injury and inflammation, stimulating the production of inflammatory mediators resulting in plasma extravasation, leukocyte trafficking, edema, and pain. We have previously reported on sulfonamide and sulfone-based B1 antagonists containing a privileged bicyclic amine moiety leading to potent series of 2-oxopiperazines. The suboptimal pharmacokinetics and physicochemical properties of the oxopiperazine sulfonamides led us to seek B1 antagonists with improved druglike properties. Using a pharmacophore model containing a bicyclic amine as anchor, we designed a series of amide antagonists with targeted physicochemical properties. This approach led to a novel series of potent phthalazinone B1 antagonists, where we successfully replaced a sulfonamide acceptor with a cyclic carbonyl unit. SAR studies revealed compounds with subnanomolar B1 binding affinity. These compounds demonstrate excellent cross-species PK properties with high oral bioavailability and potent activity in a rabbit biochemical challenge pharmacodynamic study.
• HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY
  申请人：Wilks Angela

  公开号：US20100081661A1

  公开（公告）日：2010-04-01

  Inhibitors of microbial heme oxygenase and their use for treatment of microbial infections and bioremediation. The inhibitors of microbial heme oxygenase are useful against a new class of antimicrobial agents to target infections that are persistently difficult to combat with the current spectrum of antimicrobial agents. Screening methods for selecting inhibitors of microbial heme oxygenase.
• MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20200270463A1

  公开（公告）日：2020-08-27

  The modified graphene includes a structure represented by the following formula (I), wherein the modified graphene has a ratio (g/d) of an intensity “g” of a G band to an intensity “d” of a D band of 1.0 or more in a Raman spectroscopy spectrum thereof: Gr1-Ar1-X1-(Y1) n1 (I) in the formula (I), Gr1 represents a single-layer graphene or a multilayer graphene, Ar1 represents an arylene group having 6 to 18 carbon atoms, X1 represents a single bond, a linear, branched, or cyclic alkylene group having 1 to 20 carbon atoms, or a group obtained by substituting at least one carbon atom in a linear, branched, or cyclic alkylene group having 1 to 20 carbon atoms with at least one structure selected from the group consisting of —O—, —NH—, —CO—, —COO—, —CONH—, and an arylene group.
• Fialkov,Yu.A. et al., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, p. 2091 - 2095
  作者：Fialkov,Yu.A. et al.

  DOI：——

  日期：——