α-phenyl-δ-oxocaproic acid | 5662-73-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: α-phenyl-δ-oxocaproic acid
• 英文别名: (+/-)-2-phenyl-5-oxohexanoic acid；5-oxo-2-phenyl-hexanoic acid；5-Oxo-2-phenyl-hexansaeure；(+/-)-5-Oxo-2-phenyl-hexansaeure-(1)；2-Phenyl-5-oxo-hexansaeure；5-Oxo-2-phenylhexanoic acid
• CAS: 5662-73-7
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: XDSWWDXRHVTWDS-UHFFFAOYSA-N

物化性质

• 熔点：
  35-36 °C(Solv: benzene (71-43-2))
• 沸点：
  195-197 °C(Press: 6 Torr)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  α-phenyl-δ-oxocaproic acid 在 硫酸 、 溶剂黄146 作用下， 生成 2-methyl-5-phenyl-pentane-1,2,5-tricarboxylic acid
  参考文献：
  名称：

  The Mo−OH proton of the low-pH form of sulfite oxidase: Comparison of the hyperfine interactions obtained from pulsed ENDOR, CW-EPR and ESEEM measurements

  摘要：

  Pulsed electron nuclear double resonance (ENDOR) spectra have been obtained for the exchangeable Mo-OH proton of the low-pH form of native chicken liver sulfite oxidase (SO) and recombinant human SO for the first time. The spectra of the two enzymes are very similar, indicating a similar binding geometry of the hydroxyl ligand to the Mo center. The isotropic hyperfine interaction (hfi) constant for the proton of the OH ligand in both enzymes is about 26 MHz. The anisotropic components of the hfi obtained from the pulsed ENDOR spectra are about 1.6-1.8 times larger than those obtained by continuous-wave electron paramagnetic resonance and electron spin echo envelope modulation. These hfi differences are explained by a rotational disorder of the Mo-OH group. A similar rotational disorder of the coordinated exchangeable ligand has been found previously for the high-pH and phosphate-inhibited forms of SO.

  DOI：

  10.1007/bf03166122
• 作为产物：
  描述：

  5-oxo-2-phenyl-hexanoic acid ethyl ester 在 氢氧化钾 作用下， 生成 α-phenyl-δ-oxocaproic acid
  参考文献：
  名称：

  The Chemistry of Methyl Vinyl Ketone. I. The Acetoethylation of Ketones

  摘要：

  DOI：

  10.1021/jo01031a058

文献信息

• [EN] GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS<br/>[FR] FORMULATIONS INHIBITRICES DE GRANZYME B ET MÉTHODES DE TRAITEMENT DE BRÛLURES
  申请人：VIDA THERAPEUTICS INC

  公开号：WO2017132771A1

  公开（公告）日：2017-08-10

  Formulations for treating burns and burn wound healing comprising a Granzyme B inhibitor and a pharmaceutically acceptable carrier, and methods for treating burns and for burn wound healing using the formulations.

  治疗烧伤和烧伤愈合的配方包括一种Granzyme B抑制剂和一种药用可接受载体，以及使用这些配方进行治疗烧伤和烧伤愈合的方法。
• Cyclic urea compounds as granzyme B inhibitors
  申请人：viDA Therapeutics Inc.

  公开号：US10537652B2

  公开（公告）日：2020-01-21

  Cyclic urea compounds as Granzyme B inhibitors, compositions that include the compounds, and methods for using the compounds. Methods for treating cutaneous scleroderma, epidermolysis bullosa, radiation dermatitis, alopecia areata, and discoid lupus erythematosus are provided.

  作为 Granzyme B 抑制剂的环状脲化合物、包括这些化合物的组合物以及使用这些化合物的方法。提供了治疗皮肤硬皮病、表皮松解症、放射性皮炎、斑秃和盘状红斑狼疮的方法。
• An asymmetric synthesis of chiral 4,4-disubstituted cyclohexenones in high enantiomeric purity
  作者：A. I. Meyers、Bruce A. Lefker、Klaus T. Wanner、R. Alan Aitken

  DOI：10.1021/jo00360a065

  日期：1986.5
• Condensation of monosubstituted isopropylidene malonates with Mannich bases
  作者：Robert T. Jacobs、Allen D. Wright、Francis X. Smith

  DOI：10.1021/jo00140a038

  日期：1982.9
• 162. Studies in the Sterol–Oestrone Group. Part II. Derivatives of 2-phenylcyclohexanone
  作者：J. C. Bardhan

  DOI：10.1039/jr9400000848

  日期：——