hex-4-ynoic acid ethyl ester | 501009-56-9

• 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: hex-4-ynoic acid ethyl ester
• 英文别名: Hex-4-insaeure-aethylester；Ethyl hex-4-ynoate
• CAS: 501009-56-9
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: WZVBZDZPAHTRES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hex-4-ynoic acid ethyl ester 在 sodium hydroxide 、 N-羟基-7-氮杂苯并三氮唑 、 sodium ethanolate 、 sodium acetate 、 sodium cyanoborohydride 、 溶剂黄146 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-2-[(Benzyloxy-formyl-amino)-methyl]-hex-4-ynoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the methylene spacer and the P1′ side chain

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to the methylene spacer and the P1' side chain. Enzyme inhibition and antibacterial activity data revealed that the optimum distance between the N-formyl hydroxylamine metal binding group and the P1' side chain is one unsubstituted methylene unit. Additionally, lipophilic P1' side chains that closely mimic the methionine residue in the substrate provided compounds with the best microbiological profile. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00532-8

文献信息

• CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：Hutchinson John Howard

  公开号：US20110301168A1

  公开（公告）日：2011-12-08

  Described herein are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了PGD2受体拮抗剂。还描述了包括所述化合物的制药组合物和药物，以及使用这种PGD2受体拮抗剂的方法，单独或与其他化合物联合治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症。