N-benzoyl-3,5-bis(N-pyrrolidinylmethyl)-4-hydroxyaniline | 81079-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzoyl-3,5-bis(N-pyrrolidinylmethyl)-4-hydroxyaniline
• 英文别名: 2,6-Bis(1-pyrrolidinylmethyl)-4-benzamidophenol；N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzamide
• CAS: 81079-97-2
• 化学式: C₂₃H₂₉N₃O₂
• 分子量: 379.502
• InChiKey: ZRDHXFUVIIQRBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  463.6±45.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-benzoyl-3,5-bis(N-pyrrolidinylmethyl)-4-hydroxyaniline 、 哌啶 、 四氢吡咯 生成 N-(benzoyl)3,5-bis(piperidinylmethyl)-4-hydroxyaniline
  参考文献：
  名称：

  Aryl substituted aminomethyl benzene derivatives having antiarrhythmic

  摘要：

  本发明涉及新化合物的公式##STR1##其中X是##STR2##其中R.sub.1是氢，低烷基，苯基，苄基，肉桂酰基，噻吩，呋喃，吡咯，咪唑，吡唑，噁唑或噻唑;W是氢或羟基; (Y).sub.A位于W的正交位置，是具有公式--CH.sub.2 NR.sub.2 R.sub.3的氨基低烷基，其中R.sub.2和R.sub.3相同或不同，可以是低烷基或R.sub.2和R.sub.3可以与N一起形成吡咯烷，哌嗪或氮杂环；n和m独立地为0到5；和R是直链或支链C.sub.1-C.sub.10烷基，直链或支链C.sub.3-C.sub.10环烷基，直链或支链C.sub.2-C.sub.4烯基或直链或支链C.sub.2-C.sub.4炔基，或其药学上可接受的盐。这些化合物在治疗各种心律失常方面是有用的。

  公开号：

  US04748184A1
• 作为产物：
  描述：

  2-吡咯烷酮 、 对乙酰氨基酚 在 聚合甲醛 作用下， 以 盐酸 、 乙醇 、 氯仿 为溶剂， 生成 N-benzoyl-3,5-bis(N-pyrrolidinylmethyl)-4-hydroxyaniline
  参考文献：
  名称：

  Aryl substituted aminomethyl benzene derivatives having antiarrhythmic

  摘要：

  本发明涉及新化合物，其化学式为##STR1##其中X为##STR2##其中R.sub.1为氢、较低的烷基、苯基、苄基、肉桂酰基、噻吩、呋喃、吡咯、咪唑、吡唑、噁唑或噻唑；W为氢或羟基；(Y).sub.A位于W的邻位，是具有--CH.sub.2 NR.sub.2 R.sub.3式的氨基较低烷基，其中R.sub.2和R.sub.3相同或不同，可以是较低的烷基，或R.sub.2和R.sub.3可以与N一起形成吡咯烷、哌啶或环庚烯环，A为2；n和m独立地从0到5；R为直链或支链的C.sub.1-C.sub.10烷基，直链或支链的C.sub.3-C.sub.10环烷基，直链或支链的C.sub.2-C.sub.4烯基或直链或支链的C.sub.2-C.sub.4炔基，或其药学上可接受的盐。这些化合物在治疗各种心律失常方面是有用的。

  公开号：

  US04748184A1

文献信息

• Aryl substituted aminomethyl benzene derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04755527A1

  公开（公告）日：1988-07-05

  The present invention relates to new compounds of the formula ##STR1## where X is ##STR2## alkylene, or --S--where R.sub.1 is hydrogen, alkyl, or aryl; W is hydrogen, hydroxy, amino, alkyloxy, aryloxy, O-alkyl, or O-aralkyl; (Y).sub.A) is --CH.sub.2 NR.sub.2 R.sub.3 where R.sub.2 and R.sub.3 may be hydrogen, substituted alkyls, aryls, or together with N form a 5 to 7 membered heterocyclic group; and Ar is a substituted or unsubstituted aryl. These compounds are useful in the treatment of various cardiac arrhythmias.

  本发明涉及新的化合物，其化学式为## STR1 ##其中X为## STR2 ##烷基，或-S-，其中R.sub.1是氢，烷基或芳基;W是氢，羟基，氨基，烷氧基，芳氧基，O-烷基或O-芳基烷基;（Y）.sub.A）是--CH.sub.2 NR.sub.2 R.sub.3，其中R.sub.2和R.sub.3可以是氢，取代烷基，芳基，或者与N一起形成5到7元杂环基;和Ar是取代或未取代的芳基。这些化合物在治疗各种心律失常方面有用。
• Aminomethyl benzanilides
  申请人：American Hospital Supply Corporation

  公开号：US04562201A1

  公开（公告）日：1985-12-31

  The present invention relates to new compounds of the formula ##STR1## where X is ##STR2## alkylene, or --S-- where R.sub.1 is hydrogen, alkyl, or aryl; W is hydrogen, hydroxy, amino, alkyloxy, aryloxy, O-alkyl, or O-aralkyl; (Y).sub.A is --CH.sub.2 NR.sub.2 R.sub.3 where R.sub.2 and R.sub.3 may be hydrogen, substituted alkyls, aryls, or together with N form a 5 to 7 membered heterocyclic group; and Ar is a substituted or unsubstituted aryl. These compounds are useful in the treatment of various cardiac arrhythmias.

  本发明涉及一种新的化合物，其化学式为##STR1##其中X为##STR2##烷基，或--S--，其中R.sub.1为氢，烷基或芳基；W为氢，羟基，氨基，烷氧基，芳氧基，O-烷基或O-芳基烷基；(Y).sub.A为--CH.sub.2 NR.sub.2 R.sub.3，其中R.sub.2和R.sub.3可以是氢，取代烷基，芳基，或与N一起形成一个5到7个成员的杂环基；Ar为取代或未取代的芳基。这些化合物在治疗各种心律失常方面有用。
• Aralkyl ester soft drugs
  申请人：——

  公开号：US20030096858A1

  公开（公告）日：2003-05-22

  The present invention describes a method for programming a specific course and rate of metabolism for a parent drug compound that leads to an inactive or very weakly active and nontoxic metabolite when the modified drug compound is administered. The parent drug compound is modified by forming one or more of a predetermined chemical arrangement within the parent drug structure where the chemical arrangement is A--Ø--(R)—X—R′; where A is absent or is a tether moiety which allows for a metabolically stable chemical connection to be made to the parent drug compound; Ø is a substituted aryl or heteroaryl system that is already present within the parent drug compound or is specifically added to the parent drug compound via A; R is an alkyl or alkene containing chain either branched or unbranched from 0 to 10 carbons that is either also already present within the parent drug compound or is specifically added to the parent drug compound via connection to Ø; X is a carboxyl, sulfoxyl or phosphatyl function that is specifically added to the parent drug compound via connection to R; and, R′ is an added alkyl, alkenyl, or aralkyl group either branched or unbranched containing from 1 to 10 carbons, other common leaving group, or a structural element already present as an inherent portion of the parent drug compound.

  本发明描述了一种对母体药物化合物的特定代谢过程和代谢率进行编程的方法，当给药经修饰的药物化合物时，会产生无活性或活性很弱且无毒的代谢物。通过在母体药物结构中形成一种或多种预定的化学排列对母体药物化合物进行修饰，其中化学排列为A--Ø--(R)-X-R′；其中A不存在或为系链分子，可与母体药物化合物建立代谢稳定的化学连接；Ø为取代的芳基或杂芳基体系，已存在于母体药物化合物中，或通过A专门添加到母体药物化合物中；R 是含 0 至 10 个碳原子的支链或不支链的烷基或烯基链条，该链条要么已经存在于母体药物化合物中，要么通过与 Ø 的连接被特别添加到母体药物化合物中；X 是通过与 R 的连接被特别添加到母体药物化合物中的羧基、硫氧基或磷脂基官能团；R′是添加的烷基、烯基或芳烷基，可以是含有 1 至 10 个碳原子的支链或非支链基团，也可以是其他常见的离去基团，或者是作为母体药物化合物固有部分已经存在的结构元素。
• Method and compositions for treating persistent pulmonary hypertension using aralkyl ester soft drugs
  申请人：——

  公开号：US20030130236A1

  公开（公告）日：2003-07-10

  A method and compositions for treating persistent pulmonary hypertension in human newborns that deploys an intravenous infusion of a modified drug formed by adding one or more of a predetermined chemical arrangement to an efficacious parent drug compound so as to retain efficacy while re-directing a preferred route and rate of the parent drug compound's metabolism to an inactive or very weakly active and non-toxic metabolite are disclosed. The chemical arrangement is 1 wherein &phgr; is a phenyl, substituted aryl or heteroaryl system that is already present in the parent drug compound or is specifically added to the parent drug compound via a metabolically stable connection; R is an alkyl or alkene containing chain either branched or unbranched from 0 to 10 carbons that is already present in the parent drug compound or is added to the parent drug compound via a metabolically stable connection to &phgr;; X is a carboxyl, sulfoxyl or phosphatyl function that is specifically added to the parent drug compound via a metabolically stable connection to R; and, R′ is an added alkyl, alkenyl or aralkyl group either branched or unbranched containing from 1 to 10 carbons, or is a structural element already present as an inherent portion of the parent drug compound.

  本发明公开了一种用于治疗人类新生儿持续性肺动脉高压的方法和组合物，该方法和组合物采用静脉输注改良药物的方式，改良药物是通过在具有疗效的母体药物化合物中添加一种或多种预定的化学排列方式形成的，从而在保留疗效的同时，将母体药物化合物代谢的首选途径和速率重新定向为无活性或活性极弱且无毒的代谢物。化学结构如下 1 其中&phgr;是苯基、取代的芳基或杂芳基体系，该体系已经存在于母体药物化合物中，或通过代谢稳定的连接被特别添加到母体药物化合物中； R 是含 0 至 10 个碳原子的支链或不支链的烷基或烯链，该链已存在于母体药物化合物中，或通过与 &phgr 的代谢稳定连接添加到母体药物化合物中；； X 是羧基、硫酰基或磷酰基，通过与 R 的代谢稳定连接被添加到母体药物化合物中；以及 R′ 是添加的烷基、烯基或芳烷基，可以是含有 1 至 10 个碳原子的支链或非支链基团，或 者是作为母体药物化合物固有部分已经存在的结构元素。
• Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides
  作者：David M. Stout、W. L. Matier、Cynthia Barcelon-Yang、Robert D. Reynolds、Barry S. Brown

  DOI：10.1021/jm00376a022

  日期：1984.10

  Thirty amides patterned after the antiarrhythmic drug changrolin were synthesized and their antiarrhythmic and parasympatholytic activities were assessed. There was no correlation between antiarrhythmic and parasympatholytic activities. Several of the amides were found to be potent antiarrhythmic agents that possessed low parasympatholytic activity. All of the compounds appear to act by a class I mechanism.