[2,6-Di(propan-2-yl)phenyl] 2-[[2,6-di(propan-2-yl)phenoxy]carbonyloxymethyl]pyridine-3-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [2,6-Di(propan-2-yl)phenyl] 2-[[2,6-di(propan-2-yl)phenoxy]carbonyloxymethyl]pyridine-3-carboxylate
• 英文别名: [2,6-di(propan-2-yl)phenyl] 2-[[2,6-di(propan-2-yl)phenoxy]carbonyloxymethyl]pyridine-3-carboxylate
• 化学式: C₃₂H₃₉NO₅
• 分子量: 517.7
• InChiKey: BVGZXVINSPZLHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES
  申请人：Sphaera Pharma Pte. Ltd

  公开号：EP2903614A2

  公开（公告）日：2015-08-12
• [EN] NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES<br/>[FR] NOUVEAUX COMPOSÉS, LEUR SYNTHÈSE ET LEURS UTILISATIONS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2014054058A2

  公开（公告）日：2014-04-10

  The present invention discloses novel chemical compounds obtained by causing a covalent attachment of a modifying agent of the structure provided for formula 1, to a functional group or a heteroatom of a heterocyclic ring system in chemical compound with improved chemical and biological properties; Wherein : Y is DRUG-CO; DRUG -OCO; DRUG-NRCO, and X is selected from. With a provisio that the modification can be done at more than one functional group in the DRUG. Alternatively : Y is DRUG-CR1 R2, and X is COR, CONRR2, COOR. With a provisio that the N of the drug is attached to CR1 R2. With a provisio that the modification can be done at more than one functional group in the DRUG. G can be selected from iodide, chloride, bromide, mesylate, tosylate or tetra flouroborate or any other pharmaceutically acceptable anion. G can be either one or more counter ions to balance the charge. R, R1 and R2 are independently H, C1-C8 straight or branched chain alkyl - optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2; 3-7 membered cycloalkyl optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2 and or lower alkyl, straight or branched alkyl, alkoxy; alkaryl, aryl, heteroaryl, or alkheteroaryl; or is independently is independently part of 3-7 membered ring optionally containing additional 1 -2 heteroatoms selected from, O, N, S, SO, SO2 and also be optionally substituted with alkoxy, F or CI. The present invention also discloses a method for obtaining these compounds.