3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-1-isoindolinone | 55112-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-1-isoindolinone
• 英文别名: 3-hydroxy-2-(7-methyl-[1,8]naphthyridin-2-yl)-2,3-dihydro-isoindol-1-one；2-(7-methyl-1,8-naphthyridin-2-yl)-3-hydroxy-1-isoindolinone；3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one
• CAS: 55112-73-7
• 化学式: C₁₇H₁₃N₃O₂
• 分子量: 291.309
• InChiKey: RBRXXRAIVAAGGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  66.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  α-Chloro-N-propylacetamide 、 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-1-isoindolinone 以 N-甲基乙酰胺 、 Petroleum ether 为溶剂， 生成 [2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1-isoindolinyl]-N-propylglycolamide
  参考文献：
  名称：

  Pyrrole derivatives and pharmaceutical compositions which contain them

  摘要：

  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。

  公开号：

  US04898871A1

文献信息

• 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.

  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]噁二嗪并[2,3-c]吡咯或2,3,6,7-四氢-5H-[1,4]二噻并[2,3-c]吡咯环系统，Het.dbd.naphthyridinyl，吡啶基或喹啉基，它们未被取代或被卤素，（1至4个C）烷基，（1至4个C）烷氧基，（1至4个C）烷硫基或CF.sub.3取代，Y.dbd.CO，C.dbd.NOH或CHOH，R.dbd.（3至10个C）烯丙基，未被取代或被羟基，烷氧基，烷硫基，（3至6个C）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）甲酰基，哌啶基甲酰基，吡咯啉基甲酰基，苯基，吡啶基，1-咪唑基，或者替代地R.dbd.2-或3-吡咯啉基，2-，3-或4-哌嗪基，（3至6个C）环烷基或未被取代或被卤素，（1至4个C）烷基，（1至4个C）烷氧基，（1至4个C）烷硫基取代的苯基，所述烷基基团和部分含有1至10个C，除非特别说明，哌嗪基，哌啶基，哌嗪基，吡咯啉基，氮杂环戊基基团未被取代或被烷基，烷基羰基，苄基或羟基烷基取代，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.

  本发明涉及公式为：## STR1 ##的吡咯衍生物，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]吡咯环系统，Het为萘啉基，吡啶基或喹啉基，未取代或取代卤素，（1至4C）烷基，（1至4C）烷氧基，（1至4C）烷硫基或CF.sub.3，R = （3至10C）直链或支链烯基或烷基，未取代或取代烷氧基，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（其中氨基部分可以选配取代烷基），1-或2-哌嗪基，哌啶基，哌啶基，吗啉基，吡咯烷基，1-氮杂环丙基，氨基甲酰基，烷基甲酰基，二烷基甲酰基，（1-哌嗪基）甲酰基，哌啶基甲酰基，（1-吡咯烷基）甲酰基，苯基，吡啶基，1-咪唑基，或者R = 2-或3-吡咯烷基，2-，3-或4-哌嗪基，其中烷基基团是直链或支链基团，并且除非特别说明，含有1至10C，而哌嗪基，哌啶基，哌啶基，吡咯烷基和氮杂环丙基基团可以未取代或取代任何位置的烷基，烷基甲酰基，苯甲基或羟基烷基，或者可以与环的氮原子形成内酰胺基团，其中，它们的药学上可接受的盐和光学异构体可用作抗焦虑药。
• US4016274A
  申请人：——

  公开号：US4016274A

  公开（公告）日：1977-04-05
• US4038391A
  申请人：——

  公开号：US4038391A

  公开（公告）日：1977-07-26
• US4898871A
  申请人：——

  公开号：US4898871A

  公开（公告）日：1990-02-06