3-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-1-isoindolinone | 117705-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-1-isoindolinone
• 英文别名: 3-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-3H-isoindol-1-one
• CAS: 117705-25-6
• 化学式: C₁₆H₉Cl₂N₃O
• 分子量: 330.173
• InChiKey: WZHNNRCCJWEUMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-1-isoindolinone 生成 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[3-(dimethylamino)propoxy]-3H-isoindol-1-one;hydrochloride
  参考文献：
  名称：

  BOURZAT, JEAN-DOMINIQUE;COTREL, CLAUDE;ROUSSEL, GERARD;CAPET, MARC;LABAUD+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(7-氯-1,8-萘啶-2-基)-3-羟基异吲哚啉-1-酮 生成 3-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-1-isoindolinone
  参考文献：
  名称：

  Pyrrole derivatives, and pharmaceutical compositions which contain them

  摘要：

  公式（I）的吡咯衍生物：##STR1## 其中A与吡咯环形成异吲哚啉，6,7-二氢-5H-吡咯[3,4-b]吡嗪，2,3,6,7-四氢-5H-[1,4]噁嗪并[2,3-c]吡咯或2,3,6,7-四氢-5H-[1,4]二噻并[2,3-c]吡咯环系，Het.dbd.naphthyridinyl，吡啶基或喹啉基，它们未被取代或被卤素，（1至4C）烷基，（1至4C）烷氧基，（1至4C）烷硫基或CF.sub.3取代，Y.dbd.CO，C.dbd.NOH或CHOH，R.dbd.（3至10C）烯基，未被取代或被取代为OH，烷氧基，烷硫基，（3至6C）环烷基，NH.sub.2，烷基氨基，二烷基氨基，烷基羰基氨基，哌嗪基，哌啶基，1-氮杂丙烷基，吗啉基，吡咯啉基，氨基甲酰基，烷基氨甲酰基，二烷基氨甲酰基，（1-哌嗪基）羰基，哌啶基羰基，吡咯啉基羰基，苯基，吡啶基，1-咪唑基，或者R.dbd.2-或3-吡咯烷基，2-，3-或4-哌嗪基，（3至6C）环烷基或未被取代或被卤素，（1至4C）烷基，（1至4C）烷氧基，（1至4C）烷硫基取代的苯基，所述烷基基团和部分含有，除非特别说明，1至10C，哌嗪基，哌啶基，哌嗪基，吡咯啉基，氮杂丙烷基未被取代或被取代为烷基，烷基羰基，苄基或羟基烷基，或者可以与环的氮原子形成内酰胺基团，它们的盐和光学异构体可用作抗焦虑剂。

  公开号：

  US04960779A1

文献信息

• Pyrrole derivatives and pharmaceutical compositions which contain them
  申请人：Rhone-Poulenc Sante

  公开号：US04898871A1

  公开（公告）日：1990-02-06

  Pyrrole derivatives of formula ##STR1## in which A forms with the pyrrole ring an isoindoline, 6,7-dihydro-5H-pyrrolo-[3,4-b]pyrazine, 2,3,6,7-tetrahydro-5H-[1,4]-oxathiino-[2,3-c]pyrrole or 2,3,6,7-tetrahydro-5H-[1,4]dithiino-[2,3-c]pyrrole ring-system, Y+0, S or NH, Het=naphthyridinyl or quinolyl which are unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio, CN or CF.sub.3 and R=(3 to 10 C) alkenyl or alkyl which is unsubstituted or substituted with alkyloxy, alkylthio, cycloalkyl, alkylcarbonyl, cycloalkylcarbonyl or cycloalkylcarbamoyl in which the cycloalkyl portions contain 3 to 6 C, NH.sub.2, alkylamino, dialkylamino, alkylcarbonylamino, 1- or 2-piperazinyl, piperidyl, piperidino, morpholino, 1-azetidinyl, pyrrolidinyl, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, (1-piperazinyl)carbonyl, piperidinocarbonyl, piperidylcarbonyl, (1-pyrrolidinyl)carbonyl, morpholinocarbonyl, aminoalkylcarbamoyl, alkylaminoalkylcarbamoyl, dialkylaminoalkylcarbamoyl, alkyloxyalkylcarbamoyl, phenyl, pyridyl, or 1-imidazolyl, or R=2- or 3-pyrrolidinyl, or 1-imidazolyl, or 2-, 3- or 4-piperidyl, the aforesaid piperazinyl, piperidino, piperidyl, pyrrolidinyl, and azetidinyl radicals being unsubstituted or substituted at any position by alkyl, OH, alkylcarbonyl, benzyl, or hydroxyalkyl, or can form (i) a lactam group with the nitrogen atom of the ring or (ii) a 2-spirodioxolane residue with a carbon of the ring, and the said alkyl radicals containing 1 to 10 C except where specifically stated, are useful as anxiolytics.

  很抱歉，您提供的信息中包含了一些无法直接翻译的化学术语和结构式（例如##STR1##）。这些术语通常在化学专利或科学文献中用于描述特定的化合物结构。如果您能提供更具体的化学结构或上下文，我可以尝试为您提供更准确的翻译。如果您需要将这些术语用于专业目的，建议您咨询相关领域的专业人士以确保准确性。
• Pyrrole derivatives, and pharmaceutical compositions which contain them
  申请人：Rhone-Poulenc Sante

  公开号：US04960779A1

  公开（公告）日：1990-10-02

  Pyrrole derivatives of formula (I): ##STR1## in which A forms with the pyrrole ring an isoindoline, 6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine, 2,3,6,7-tetrahydro-5H-[1,4]oxathiino[2,3-c]pyrrole or 2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrole ring-system, Het.dbd.naphthyridinyl, pyridyl or quinolyl which are unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio or CF.sub.3, Y.dbd.CO, C.dbd.NOH or CHOH and R.dbd.(3 to 10 C) alkenyl, alkyl which is unsubstituted or substituted with OH, alkyloxy, alkylthio, (3 to 6 C) cycloalkyl, NH.sub.2, alkylamino, dialkylamino, alkylcarbonylamino, piperazinyl, piperidyl, 1-azetidinyl, morpholino, pyrrolidinyl, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, (1-piperazinyl)carbonyl, piperidinocarbonyl, pyrrolidinocarbonyl, phenyl, pyridyl, 1-imidazolyl or alternatively R.dbd.2- or 3-pyrrolididnyl, 2-, 3- or 4-piperidyl, (3 to 6 C) cycloalkyl or phenyl which is unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio, the said alkyl radicals and portions containing, except where specifically stated, 1 to 10 C, and the piperazinyl, piperidino, piperidyl, pyrrolidinyl, azetidinyl radicals being unsubstituted or substituted at any position by alkyl, alkylcarbonyl, benzyl or hydroxyalkyl, or can alternatively form a lactam group with the nitrogen atom of the ring, and their salts and optical isomers are useful as anxiolytics.

  公式（I）中的吡咯衍生物：##STR1## 其中A与吡咯环形成异吲哚啉、6,7-二氢-5H-吡咯并[3,4-b]吡嗪、2,3,6,7-四氢-5H-[1,4]噁二噻吩[2,3-c]吡咯或2,3,6,7-四氢-5H-[1,4]二噻吩[2,3-c]吡咯环系统，Het.dbd.naphthyridinyl、吡啶基或喹啉基，它们未被取代或被卤素、（1到4碳）烷基、（1到4碳）烷氧基、（1到4碳）烷硫基或CF.sub.3取代，Y.dbd.CO、C.dbd.NOH或CHOH，R.dbd.（3到10碳）烯基、烷基，它们未被取代或被OH、烷氧基、烷硫基、（3到6碳）环烷基、NH.sub.2、烷基氨基、二烷基氨基、烷基羰基氨基、哌嗪基、哌啶基、1-氮杂环戊烷基、吗啉基、吡咯烷基、氨基甲酰基、烷基氨甲酰基、二烷基氨甲酰基、（1-哌嗪基）羰基、哌啶基羰基、吡咯烷基羰基、苯基、吡啶基、1-咪唑基，或者R.dbd.2-或3-吡咯基、2-、3-或4-哌嗪基、（3到6碳）环烷基或未被取代或被卤素、（1到4碳）烷基、（1到4碳）烷氧基、（1到4碳）烷硫基取代的苯基，所述烷基基团和部分含有，除非特别说明，1到10碳，哌嗪基、哌啶基、吡咯烷基、吗啉基、氮杂环戊烷基基团未被取代或被烷基、烷基羰基、苄基或羟基烷基在任何位置取代，或者可以与环的氮原子形成内酰胺基团，它们的盐和光学异构体可用作抗焦虑药。
• Pyrrole derivatives, their preparation and pharmaceutical compositions
  申请人：Rhone-Poulenc Sante

  公开号：US05102890A1

  公开（公告）日：1992-04-07

  This invention relates to pyrrole derivatives of formula: ##STR1## in which A forms with the pyrrole ring an isoindoline, 6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine, 2,3,6,7-tetrahydro-5H-[1,4]oxathiino[2,3-c]pyrrole or 2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrole ring-system and Hetis naphthyridinyl, pyridyl or quinolyl which is unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio or CF.sub.3 and R=(3 to 10 C) straight- or branched-chain alkenyl or alkyl which is unsubstituted or substituted with alkyloxy, alkylthio, (3 to 6 C) cycloalkyl, NH.sub.2, alkylamino, dialkylamino, alkylcarbonylamino, (in which the amino portion is optionally substituted with alkyl), 1- or 2-piperazinyl, piperidyl, piperidino, morpholino, pyrrolidinyl, 1-azetidinyl, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, (1-piperazinyl)carbonyl, piperidinocarbonyl, (1-pyrrolidinyl)carbonyl, phenyl, pyridyl, 1-imidazolyl, or alternatively R=2- or 3-pyrrolidinyl, 2-, 3- or 4-piperidyl, on the understanding that the alkyl radicals are straight- or branched-chain radicals and contain, except where specifically stated, 1 to 10 C, and that the piperazinyl, piperidino, piperidyl, pyrrolidinyl and azetidinyl radicals can be unsubstituted or substituted at any position with alkyl, alkylcarbonyl, benzyl or hydroxyalkyl, or can alternatively form a lactam group with the nitrogen atom of the ring, and, where they exist, their pharmaceutically acceptable salts and optical isomers, are useful as anxiolytics.

  这项发明涉及以下化学式的吡咯衍生物：##STR1## 其中A与吡咯环形成异吲哚、6,7-二氢-5H-吡咯并[3,4-b]吡嗪、2,3,6,7-四氢-5H-[1,4]噁硫氮[2,3-c]吡咯或2,3,6,7-四氢-5H-[1,4]二硫氮[2,3-c]吡咯环系统，Het为萘啉基、吡啉基或喹啉基，未取代或取代有卤素、(1至4碳)烷基、(1至4碳)烷氧基、(1至4碳)烷硫基或CF.sub.3，R=(3至10碳)直链或支链烯基或烷基，未取代或取代有烷氧基、烷硫基、(3至6碳)环烷基、NH.sub.2、烷基氨基、二烷基氨基、烷基羰基氨基（其中氨基部分可选择性地取代烷基）、1-或2-哌嗪基、哌啶基、哌啶基、吗啉基、吡咯啉基、1-氮杂环丙基、氨甲酰基、烷基氨甲酰基、二烷基氨甲酰基、(1-哌嗪基)羰基、哌啶羰基、(1-吡咯啉基)羰基、苯基、吡啉基、1-咪唑基，或者R=2-或3-吡咯啉基、2-、3-或4-哌啶基，其中烷基基团为直链或支链基团，除非特别说明，含有1至10碳，哌嗪基、哌啶基、哌啶基、吡咯啉基和氮杂环丙基基团可以未取代或在任何位置取代烷基、烷基羰基、苄基或羟基烷基，或者可以与环的氮原子形成内酰胺基团，存在时，它们的药学上可接受的盐和光学异构体，可用作抗焦虑药物。
• Isoindolinone derivative, preparation thereof and pharmaceutical
  申请人：Rhone-Pouelnc Rorer S.A.

  公开号：US05599936A1

  公开（公告）日：1997-02-04

  The present invention relates to a new isoindolinone derivative of formula: ##STR1## in racemic form or in the form of its enantiomers, as well as its salts, its preparation and the pharmaceutical compositions which contain it.

  本发明涉及一种新的异吲哚啉酮衍生物，其化学式为：##STR1## 以其外消旋型或其对映体形式出现，以及其盐、制备方法和包含该衍生物的药物组合物。
• Isoindolinone derivative, preparation thereof, and pharmaceutical
  申请人：Rhone-Poulenc Rorer S.A.

  公开号：US05494915A1

  公开（公告）日：1996-02-27

  The present invention relates to a new isoindolinone derivative of formula: ##STR1## in racemic form or in the form of its enantiomers, as well as its salts, its preparation and the pharmaceutical compositions which contain it.

  本发明涉及一种新的异吲哚酮衍生物，其化学式为：##STR1## 包括其外消旋或对映异构体形式、其盐形式、其制备方法以及包含该化合物的药物组合物。