苯丁酸氮芥杂质G(EP) | 178481-89-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 苯丁酸氮芥杂质G(EP)
• 英文名称: 4-<2--phenyl>-buttersaeure, o-Chlorambucil
• 英文别名: 4-[2-[bis(2-chloroethyl)amino]phenyl]butyric acid；Ortho-chlorambucil；4-[2-[bis(2-chloroethyl)amino]phenyl]butanoic acid
• CAS: 178481-89-5
• 化学式: C₁₄H₁₉Cl₂NO₂
• 分子量: 304.216
• InChiKey: JLERWRRRDFUKIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯丁酸氮芥杂质G(EP) 生成 4-[2-[bis(2-chloroethyl)amino]phenyl]butyric acid N-hydroxysuccinimido ester 、 2-吗啉基乙基异腈
  参考文献：
  名称：

  Gem-diphosphonic acids, and pharmaceutical compositions containing them

  摘要：

  式(I)的二磷酸，其中R.sub.1和R.sub.2是氢或C.sub.1-C.sub.4烷基；(A)是氢，卤素，羟基或C.sub.1-C.sub.12烷基；(B)是键，C.sub.1-C.sub.8烷基链，环烷烃基链，被环己基或环戊基取代的烷基链，或芳基烷基链，含有杂原子（O、S或N-CH.sub.3）或尿素基团--(CH.sub.2).sub.n1 --NHCONH--(CH.sub.2).sub.n --其中n的取值范围为1到5，R.sub.3是氢，C.sub.1-C.sub.9烷基，C.sub.3-C.sub.6环烷基，苄基，苯基或对甲氧基苄基；(C)是C.sub.1-C.sub.5烷基，苯基或芳基烷基链；R.sub.4是氢，C.sub.1-C.sub.5烷基或氨基，可以选择地被烷基，苯基，苄基，对甲氧基苄基，酰基，氨基酸或肽基团取代；R.sub.5和R.sub.6是2-卤乙基或共同形成1-氮杂环丙基残基，可用作抗肿瘤剂。

  公开号：

  US05300671A1

文献信息

• Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin
  申请人：IDEA AG

  公开号：EP1815846A2

  公开（公告）日：2007-08-08

  The application describes combinations of at least three amphipatic substances forming aggregate suspensions in a polar liquid. Judicious choice of system components, which differ at least 2-times to 10-times in solubility, ensures said aggregates to have extended, unusually adaptable surfaces. This is probably due to simultaneous action on said aggregates of at least two more soluble substances amongst said three system components, at least one of which is an active ingredient and preferably a drug; the third component, alternatively, can take the role of a drug. The application further deals with the use of said combinations in pharmaceutical preparations capable of transporting drugs into the body of warm blood creatures. This is made possible by the drug loading capability of said aggregates with the highly flexible and deformable coating, which renders the resulting drug carriers highly adaptable. The application finally reveals suitable methods and favourable conditions for carrier manufacturing and application. The application also describes novel formulations of nonsteroidal anti-inflammatory drugs (NSAIDs) based on complex aggregates with at least three amphipatic components suspended in a suitable, e.g. pharmaceutically acceptable, polar liquid medium.

  该申请描述了在极性液体中形成聚集悬浮液的至少三种两性物质的组合。对溶解度至少相差 2 倍到 10 倍的体系成分的明智选择，确保了所述聚集体具有扩展的、异常适应的表面。这可能是由于在上述三种系统成分中，至少有两种可溶性物质同时作用于上述聚集体，其中至少有一种是活性成分，最好是药物；第三种成分也可以起到药物的作用。本申请还涉及上述组合物在药物制剂中的应用，这些药物制剂能够将药物输送到温血动物体内。这得益于具有高柔韧性和可变形涂层的聚合体的药物装载能力，从而使所制成的药物载体具有很强的适应性。该申请最终揭示了载体制造和应用的合适方法和有利条件。本申请还介绍了非甾体抗炎药（NSAIDs）的新型制剂，该制剂基于悬浮在适当的（如药学上可接受的）极性液体介质中的至少含有三种两性成分的复合聚集体。
• Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin
  申请人：——

  公开号：US20040105881A1

  公开（公告）日：2004-06-03

  The invention describes combinations of at least three amphipatic substances forming aggregate suspensions in a polar liquid. Judicious choice of system components, which differ at least 2-times to 10-times in solubility, ensures said aggregates to have extended, unusually adaptable surfaces. This is probably due to simultaneous action on said aggregates of at least two more soluble substances amongst said three system components, at least one of which is an active ingredient and preferably a drug; the third component, alternatively, can take the role of a drug. The patent further deals with the use of said combinations in pharmaceutical preparations capable of transporting drugs into the body of warm blood creatures. This is made possible by the drug loading capability of said aggregates with the highly flexible and deformable coating, which renders the resulting drug carriers highly adaptable. The patent finally reveals suitable methods and favourable conditions for carrier manufacturing and application.

  本发明描述了在极性液体中形成聚集悬浮液的至少三种两性物质的组合。对溶解度至少相差 2 倍到 10 倍的体系成分的明智选择，确保了所述聚集体具有扩展的、异常适应的表面。这可能是因为在上述三种系统成分中，至少有两种可溶性物质同时作用于上述聚集体，其中至少有一种是活性成分，最好是药物；第三种成分也可以起到药物的作用。该专利还涉及在能够将药物输送到温血动物体内的药物制剂中使用上述组合物。这得益于上述聚合体的药物装载能力以及高度柔韧和可变形的涂层，这使得所制成的药物载体具有很强的适应性。该专利最终揭示了载体制造和应用的合适方法和有利条件。
• GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：BOEHRINGER MANNHEIM ITALIA S.P.A.

  公开号：EP0593437B1

  公开（公告）日：1996-05-08
• A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES
  申请人：Board of Regents, The University of Texas System

  公开号：EP1328262A2

  公开（公告）日：2003-07-23
• AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN
  申请人：IDEA AG

  公开号：EP1551370A1

  公开（公告）日：2005-07-13