5-(3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yloxy)-5-oxopentanoic acid | 1289120-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 5-(3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yloxy)-5-oxopentanoic acid
• 英文别名: 5-[[3-[2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-5-oxopentanoic acid
• CAS: 1289120-86-0
• 化学式: C₂₈H₃₃FN₄O₆
• 分子量: 540.592
• InChiKey: XQHAFJLUOLNOQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 5-(3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yloxy)-5-oxopentanoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 3.0h， 以60%的产率得到
  参考文献：
  名称：

  [EN] HIGH-LOADING WATER-SOLUBLE CARRIER-LINKED PRODRUGS
  [FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS HYDROSOLUBLES DE FORTE CHARGE

  摘要：

  本发明涉及水溶性载体连接的前药，其化学式为(I)，其中B、A和Hyp形成载体，B是一个分支核心，每个A独立地是一条聚乙二醇基聚合链，每个Hyp独立地是一个分支基团，每个SP独立地是一个间隔基团，每个L独立地是一个可逆前药连接基团，每个D独立地是一个生物活性基团，每个x独立地为0或1，每个m独立地是从2到64的整数，n是从3到32的整数；或其药学上可接受的盐。进一步涉及包括所述水溶性载体连接的前药的药物组合物，其用作药物或诊断，以及治疗方法。

  公开号：

  WO2013024047A1

文献信息

• [EN] A PROCESS FOR THE PURIFICATION OF PALIPERIDONE<br/>[FR] PROCEDE DE PURIFICATION DE PALIPERIDONE
  申请人：CHEMO IBERICA SA

  公开号：WO2011067220A1

  公开（公告）日：2011-06-09

  The process comprises submitting crude Paliperidone to an esterification reaction in the presence of a basic agent to yield a compound of formula (III), wherein n is 1-8. This process gives the Paliperidone with high purity after hydrolysis.

  该过程包括将原始帕利哌酮在碱性剂的存在下提交至酯化反应，以产生一个化合物，其化学式为(III)，其中n为1-8。该过程在水解后可以得到高纯度的帕利哌酮。
• A process for the purification of paliperidone
  申请人：Chemo Ibérica, S.A.

  公开号：EP2343296A1

  公开（公告）日：2011-07-13

  The process comprises submitting crude Paliperidone to an esterification reaction in the presence of a basic agent to yield a compound of formula (III), wherein n is 1-8. This process gives Paliperidone with high purity after hydrolysis.

  该过程包括将原始帕利哌酮在碱性剂的存在下提交至酯化反应，以产生一个化合物，其化学式为(III)，其中n为1-8。该过程在水解后可获得高纯度的帕利哌酮。
• Polymeric Hyperbranched Carrier-Linked Prodrugs
  申请人：Hersel Ulrich

  公开号：US20140243254A1

  公开（公告）日：2014-08-28

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I), wherein POL is a polymeric moiety, each Hyp is independently a hyperbranched moiety, each moiety SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, m is 0 or 1, each n is independently an integer from 2 to 200 and each x is independently 0 or 1. It further relates to pharmaceutical compositions comprising said water-soluble carrier-linked prodrugs and methods of treatment.
• High-Loading Water-Soluable Carrier-Linked Prodrugs
  申请人：Hersel Ulrich

  公开号：US20140296257A1

  公开（公告）日：2014-10-02

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I), wherein B, A and Hyp form the carrier, B is a branching core, each A is independently a poly(ethylene glycol)-based polymeric chain, each Hyp is independently a branched moiety, each SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, each D is independently a biologically active moiety, each x is independently 0 or 1, each m is independently an integer of from 2 to 64, n is an integer from 3 to 32; or the pharmaceutically acceptable salt thereof. It further relates to pharmaceutical compositions comprising said water-soluble carrier-linked prodrugs, their use as medicament or diagnostic, and methods of treatment.
• [EN] SUBCUTANEOUS PALIPERIDONE COMPOSITION<br/>[FR] COMPOSITION SOUS-CUTANÉE DE PALIPÉRIDONE
  申请人：ASCENDIS PHARMA AS

  公开号：WO2011042453A1

  公开（公告）日：2011-04-14

  The present invention relates to pharmaceutical composition for subcutaneous injection comprising a paliperidone compound wherein the composition releases the paliperidone with an immediate onset of action and continuously for at least 3 weeks, and wherein the composition has a pharmacokinetic profile in vivo with substantially no burst release of the paliperidone. The compositios are useful as medicaments for the treatment of psychotic disorders and diseases.